InSilico Medicine (Shanghai) Ltd. was established on June 13, 2019. InSilico Medicine is a clinical-stage biopharmaceutical company powered by end-to-end artificial intelligence. The company focuses on unmet medical needs in areas such as cancer, fibrosis, immunity, central nervous system disorders, and age-related diseases, pushing forward and accelerating the development of innovative drugs.

Tags

Neoplasms

Respiratory Diseases

Digestive System Disorders

Small molecule drug

Chemical drugs

Disease domain score

A glimpse into the focused therapeutic areas

Technology Platform

Most used technologies in drug development

Targets

Most frequently developed targets

Disease Domain	Count

Neoplasms	9
Endocrinology and Metabolic Disease	2
Immune System Diseases	2
Hemic and Lymphatic Diseases	1
Infectious Diseases	1
Nervous System Diseases	1

Top 5 Drug Type	Count

Small molecule drug	7
Chemical drugs	4

Top 5 Target	Count

POLQ(DNA polymerase theta)	2
WRN(WRN RecQ like helicase)	2
MYT1(myelin transcription factor 1)	1
PHD2(egl-9 family hypoxia inducible factor 1)	1
QPCTL(glutaminyl-peptide cyclotransferase like)	1

Drugs associated with Insilicon Intelligent Technology (Shanghai) Co., Ltd.

ISM-8207

Target

QPCTL

Mechanism

QPCTL inhibitors

Active Org.

Insilicon Intelligent Technology (Shanghai) Co., Ltd. [+1]

Originator Org.

Insilicon Intelligent Technology (Shanghai) Co., Ltd.

Active Indication

Advanced Malignant Solid Neoplasm [+4]

Inactive Indication-

Drug Highest PhasePhase 1

First Approval Ctry. / Loc.-

First Approval Date-

ISM-3091

Target

USP1

Mechanism

USP1 inhibitors

Active Org.

Exelixis, Inc. [+3]

Originator Org.

InSilico Medicine Hong Kong Ltd.Startup

Active Indication

Advanced Malignant Solid Neoplasm [+2]

Inactive Indication-

Drug Highest PhasePhase 1

First Approval Ctry. / Loc.-

First Approval Date-

ISM-5411

Target

PHD2

Mechanism

PHD2 inhibitors

Active Org.

Insilicon Intelligent Technology (Shanghai) Co., Ltd. [+1]

Originator Org.

InSilico Medicine Hong Kong Ltd.Startup

Active Indication

Inflammatory Bowel Diseases

Inactive Indication-

Drug Highest PhasePhase 1

First Approval Ctry. / Loc.-

First Approval Date-

Clinical Trials associated with Insilicon Intelligent Technology (Shanghai) Co., Ltd.

CTR20241789 / RecruitingPhase 1

一项随机、双盲、安慰剂对照的单次、多次给药剂量递增研究以及食物影响研究以评估ISM5411在中国健康受试者中的安全性、耐受性、药代动力学特征和食物影响

[Translation] A randomized, double-blind, placebo-controlled single-dose, multiple-dose ascending study and food effect study to evaluate the safety, tolerability, pharmacokinetic characteristics and food effect of ISM5411 in healthy Chinese subjects

主要目的：评估ISM5411单次和多次口服给药在中国健康受试者中的安全性和耐受性。次要目的：评估ISM5411单次和多次口服给药后，ISM5411和M15（ISM5411代谢物）在中国健康受试者中的药代动力学（Pharmacokinetics，PK）特征。评估食物在中国健康受试者单次服用ISM5411后，对ISM5411和M15（ISM5411代谢物）PK特性的影响。探索性目的：评估ISM5411单次和多次口服给药后，中国健康受试者外周血生物标志物（促红细胞生成素和血管内皮生长因子）和粪便生物标志物（钙卫蛋白和脂质运载蛋白-2）的表达变化。

[Translation]

Primary objectives: To evaluate the safety and tolerability of single and multiple oral administration of ISM5411 in healthy Chinese subjects. Secondary objectives: To evaluate the pharmacokinetic (PK) characteristics of ISM5411 and M15 (metabolite of ISM5411) in healthy Chinese subjects after single and multiple oral administration of ISM5411. To evaluate the effect of food on the PK characteristics of ISM5411 and M15 (metabolite of ISM5411) after a single dose of ISM5411 in healthy Chinese subjects. Exploratory objectives: To evaluate the changes in the expression of peripheral blood biomarkers (erythropoietin and vascular endothelial growth factor) and fecal biomarkers (calprotectin and lipocalin-2) in healthy Chinese subjects after single and multiple oral administration of ISM5411.

Start Date26 May 2024

Sponsor / Collaborator

Insilicon Intelligent Technology (Shanghai) Co., Ltd.

CTR20240727 / RecruitingPhase 1

一项评价ISM8207治疗晚期实体瘤和复发/难治性B细胞淋巴瘤受试者的安全性、耐受性、药代动力学和初步疗效的I期、开放性、多中心、首次人体研究

[Translation] A Phase I, open-label, multicenter, first-in-human study to evaluate the safety, tolerability, pharmacokinetics, and preliminary efficacy of ISM8207 in subjects with advanced solid tumors and relapsed/refractory B-cell lymphoma

本试验主要目的旨在评价ISM8207治疗晚期实体瘤和复发/难治性B细胞淋巴瘤受试者的安全性和耐受性和确定ISM8207治疗晚期实体瘤和R/R B细胞淋巴瘤受试者的II期推荐剂量。本试验次要目的为评价ISM8207治疗晚期实体瘤和R/R B细胞淋巴瘤受试者的初步临床疗效以及评估ISM8207单次及多次给药后的药代动力学特征。本试验探索性目的为探索ISM8207的代谢物和评价ISM8207的药效动力学特征。

[Translation]

The primary purpose of this trial is to evaluate the safety and tolerability of ISM8207 in the treatment of subjects with advanced solid tumors and relapsed/refractory B-cell lymphoma and to determine the recommended Phase II dose of ISM8207 in the treatment of subjects with advanced solid tumors and R/R B-cell lymphoma. The secondary purpose of this trial is to evaluate the preliminary clinical efficacy of ISM8207 in the treatment of subjects with advanced solid tumors and R/R B-cell lymphoma and to evaluate the pharmacokinetic characteristics of ISM8207 after single and multiple administrations. The exploratory purpose of this trial is to explore the metabolites of ISM8207 and evaluate the pharmacodynamic characteristics of ISM8207.

Start Date11 Apr 2024

Sponsor / Collaborator

Insilicon Intelligent Technology (Shanghai) Co., Ltd.

CTR20230776 / CompletedPhase 2

一项评价INS018_055口服给药用于治疗特发性肺纤维化（IPF）受试者的安全性、耐受性、药代动力学和有效性的随机、双盲、安慰剂对照、IIa期研究

[Translation] A randomized, double-blind, placebo-controlled, Phase IIa study to evaluate the safety, tolerability, pharmacokinetics, and efficacy of oral INS018_055 in subjects with idiopathic pulmonary fibrosis (IPF)

主要目的：评价与安慰剂相比，成人IPF受试者口服INS018_055长达12周的安全性和耐受性。次要目的评价IPF受试者口服INS018_055后的药代动力学 (PK) 评价与安慰剂相比，成人IPF受试者口服INS018_055长达12周在FVC下降方面的有效性评价与安慰剂相比，口服INS018_055治疗长达12周在改善生活质量（QoL）和功能指标方面的有效性评价与安慰剂相比，INS018_055口服给药对IPF急性加重的影响探索性目的为： ● 探索口服INS018_055对血液中IPF疾病相关的生物标志物的影响 ● 用高通量蛋白组学探索INS018_055在IPF病人血液蛋白质组中的潜在作用机制

[Translation]

Primary objective: To evaluate the safety and tolerability of oral INS018_055 for up to 12 weeks in adult IPF subjects compared with placebo. Secondary objectives To evaluate the pharmacokinetics (PK) of INS018_055 after oral administration in IPF subjects To evaluate the effectiveness of oral INS018_055 for up to 12 weeks in adult IPF subjects compared with placebo in terms of FVC decline To evaluate the effectiveness of oral INS018_055 treatment for up to 12 weeks compared with placebo in improving quality of life (QoL) and functional indicators To evaluate the effect of oral administration of INS018_055 on acute exacerbations of IPF compared with placebo Exploratory objectives are: ● To explore the effect of oral INS018_055 on IPF disease-related biomarkers in the blood ● To explore the potential mechanism of action of INS018_055 in the blood proteome of IPF patients using high-throughput proteomics

Start Date15 May 2023

Sponsor / Collaborator

Insilicon Intelligent Technology (Shanghai) Co., Ltd.

[+1]

100 Clinical Results associated with Insilicon Intelligent Technology (Shanghai) Co., Ltd.

0 Patents (Medical) associated with Insilicon Intelligent Technology (Shanghai) Co., Ltd.

Literatures (Medical) associated with Insilicon Intelligent Technology (Shanghai) Co., Ltd.

27 May 2024·Journal of Chemical Information and Modeling

PandaOmics: An AI-Driven Platform for Therapeutic Target and Biomarker Discovery

Article

Author: Pun, Frank W ; Chen, Shan ; Lin, Sha ; Tretina, Kyle ; Naumov, Vladimir ; Polykovskiy, Daniil ; Zhavoronkov, Alex ; Korzinkin, Mikhail ; Aliper, Alex ; Kamya, Petrina ; Ren, Feng ; Fokina, Tatyana ; Ozerov, Ivan V ; Long, Xi

PandaOmics is a cloud-based software platform that applies artificial intelligence and bioinformatics techniques to multimodal omics and biomedical text data for therapeutic target and biomarker discovery. PandaOmics generates novel and repurposed therapeutic target and biomarker hypotheses with the desired properties and is available through licensing or collaboration. Targets and biomarkers generated by the platform were previously validated in both in vitro and in vivo studies. PandaOmics is a core component of Insilico Medicine's Pharma.ai drug discovery suite, which also includes Chemistry42 for the de novo generation of novel small molecules, and inClinico─a data-driven multimodal platform that forecasts a clinical trial's probability of successful transition from phase 2 to phase 3. In this paper, we demonstrate how the PandaOmics platform can efficiently identify novel molecular targets and biomarkers for various diseases.

01 May 2024·Bioorganic Chemistry

Discovery of macrocyclic CDK2/4/6 inhibitors with improved potency and DMPK properties through a highly efficient macrocyclic drug design platform

Article

Author: Zhavoronkov, Alex ; Steurer, Barbara ; Liu, Jinxin ; Cao, Zhongying ; Zhang, Man ; Meng, Fanye ; Cai, Xin ; Wang, Yazhou ; Ding, Xiao ; Yu, Jiaojiao ; Aliper, Alex ; Ren, Feng ; Yang, Yilin

Cyclin-dependent kinases (CDKs) are critical cell cycle regulators that are often overexpressed in tumors, making them promising targets for anti-cancer therapies. Despite substantial advancements in optimizing the selectivity and drug-like properties of CDK inhibitors, safety of multi-target inhibitors remains a significant challenge. Macrocyclization is a promising drug discovery strategy to improve the pharmacological properties of existing compounds. Here we report the development of a macrocyclization platform that enabled the highly efficient discovery of a novel, macrocyclic CDK2/4/6 inhibitor from an acyclic precursor (NUV422). Using dihedral angle scan and structure-based, computer-aided drug design to select an optimal ring-closing site and linker length for the macrocycle, we identified compound 8 as a potent new CDK2/4/6 inhibitor with optimized cellular potency and safety profile compared to NUV422. Our platform leverages both experimentally-solved as well as generative chemistry-derived macrocyclic structures and can be deployed to streamline the design of macrocyclic new drugs from acyclic starting compounds, yielding macrocyclic compounds with enhanced potency and improved drug-like properties.

01 Apr 2024·European Journal of Medicinal Chemistry

Synthesis and structure-activity optimization of azepane-containing derivatives as PTPN2/PTPN1 inhibitors

Article

Author: Ren, Feng ; Ding, Xiaoyu ; Zheng, Jiamin ; Sun, Deheng ; Zhang, Man ; Cai, Xin ; Zhavoronkov, Alex ; Min, Lihua ; Aliper, Alex ; Ding, Xiao ; Wang, Feng ; Shi, Sujing ; Zhang, Zhisen

Protein tyrosine phosphatases PTPN2 and PTPN1 (also known as PTP1B) have been implicated in a number of intracellular signaling pathways of immune cells. The inhibition of PTPN2 and PTPN1 has emerged as an attractive approach to sensitize T cell anti-tumor immunity. Two small molecule inhibitors have been entered the clinic. Here we report the design and development of compound 4, a novel small molecule PTPN2/N1 inhibitor demonstrating nanomolar inhibitory potency, good in vivo oral bioavailability, and robust in vivo antitumor efficacy.

100 Deals associated with Insilicon Intelligent Technology (Shanghai) Co., Ltd.

100 Translational Medicine associated with Insilicon Intelligent Technology (Shanghai) Co., Ltd.

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Pipeline

Pipeline Snapshot as of 07 Nov 2024

The statistics for drugs in the Pipeline is the current organization and its subsidiaries are counted as organizations,Early Phase 1 is incorporated into Phase 1, Phase 1/2 is incorporated into phase 2, and phase 2/3 is incorporated into phase 3

Discovery

Preclinical

IND Approval

Phase 1 Clinical

Other

Current Projects

Drug(Targets)	Indications	Global Highest Phase

ISM-3412 ( Mat2A )	Solid tumor More	Phase 1
ISM-8207 ( QPCTL )	B-cell lymphoma refractory More	Phase 1
ISM-3312 ( SARS-CoV-2 3CLpro )	COVID-19 More	Phase 1
ISM-5411 ( PHD2 )	Inflammatory Bowel Diseases More	Phase 1
ISM-6331 ( TEAD )	Mesothelioma, Malignant More	IND Approval

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