SCHEMBL17376563

SCHEMBL17376563

Fc1ccc(F)c(-c2ccc[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 0.43
PTPN1 P18031 1/20 0.38
IDO1 P14902 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27801911 0.84 CDK2 (0.43) CDK2
SCHEMBL28114489 0.82 CDK2 (0.42) CDK2
SCHEMBL24696515 0.82 MEN1 (0.46) CDK2
SCHEMBL30041042 0.82 MEN1 (0.46) CDK2
SCHEMBL28129725 0.81 HSD11B1 (0.37) CDK2IDO1
SCHEMBL28311619 0.81 IDO1 (0.57) CDK2PTPN1IDO1
SCHEMBL15416935 0.79 CDK2 (0.44) CDK2
SCHEMBL28867242 0.78 TRPA1 (0.41) CDK2IDO1
SCHEMBL24696655 0.77 CDK2 (0.42) CDK2IDO1
SCHEMBL21494230 0.77 CDK2 (0.48) CDK2IDO1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220017512-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR SHANGHAI ENNOVABIO PHARMACEUTICALS CO., LTD. (CN) 2022-01-20 US disclosed
EP-3882247-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR Shanghai Ennovabio Pharmaceuticals Co., Ltd. (CN) 2021-09-22 EP disclosed
CN-110003214-A Substituted pyrazolo [1,5-a] pyrimidine compound as TRK kinase inhibitor 阵列生物制药公司 2019-07-12 CN disclosed
CN-109824566-A The synthetic method of one kind (R) -2- (2,5- difluorophenyl) pyrrolidines 浙江师范大学 2019-05-31 CN disclosed
CN-109593802-A The preparation method of one kind (R) -2- (2,5- difluorophenyl) pyrrolidines or its salt 上海健康医学院 2019-04-09 CN disclosed
CN-109593803-A (R) preparation method of -2- (2,5- difluorophenyl) pyrrolidines or its salt 上海健康医学院 2019-04-09 CN disclosed
CN-109414442-A (S) liquid preparation of-N- (5- ((R) -2- (2,5- difluorophenyl)-pyrrolidin-1-yl)-pyrazolo [1,5-A] pyrimidin-3-yl) -3- hydroxyl pyrrolidine -1- formamide 洛克索肿瘤学股份有限公司 2019-03-01 CN disclosed
CN-109310694-A METHODS OF TREATING PEDIATRIC CANCERS 洛克索肿瘤学股份有限公司 2019-02-05 CN disclosed
CN-106008523-B Substituted pyrazolo [1,5-a] pyrimidine compound as TRK kinase inhibitor 阵列生物制药公司 2019-01-25 CN disclosed
CN-108484361-A (S) the chloro- 1- of -4- (2,5)-difluorophenyl butyl- 1- alcohol and its preparation method and application 上海弈柯莱生物医药科技有限公司 2018-09-04 CN disclosed
CN-108218754-A A kind of preparation method of 2- (2,5- difluorophenyls) pyrrolidines 广东赛烽医药科技有限公司 2018-06-29 CN disclosed
CN-108003161-A Neurotrophic factor tyrosine kinase receptor inhibitor 正大天晴药业集团股份有限公司 2018-05-08 CN disclosed
CN-107428760-A Crystalline forms of (S) -N- (5- ((R) -2- (2, 5-difluorophenyl) -pyrrolidin-1-yl) -pyrazolo [1,5-a ] pyrimidin-3-yl) -3-hydroxypyrrolidine-1-carboxamide hydrogen sulfate 阵列生物制药公司 2017-12-01 CN disclosed
CN-107286070-A Synthesis method and intermediate of (R) -2- (2, 5-difluorophenyl) pyrrolidine 浙江师范大学 2017-10-24 CN disclosed
CN-107207514-A Fused heteroaryl compounds and their use as TRK inhibitors 康联制药有限公司 2017-09-26 CN disclosed
EP-3157921-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN Dr. Reddy's Laboratories Ltd. (IN) 2017-04-26 EP disclosed
CN-104114553-B Substituted pyrazolo [1,5 a] pyridine as tropomyosin receptor kinase (Trk) inhibitor 雷迪博士实验室有限公司 2017-03-01 CN disclosed
CN-106008523-A SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS 阵列生物制药公司 2016-10-12 CN disclosed
CN-103965200-B As imidazo [1,2-B] pyridazine compound of the replacement of TRK kinase inhibitor 阵列生物制药公司 2016-06-08 CN disclosed
WO-2015200341-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN DR. REDDY'S LABORATORIES LTD. (IN) 2015-12-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220017512-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR GRK6, ERBB2, ERBB3 CDK2 295/4885PTPN1 846/4885IDO1 4549/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.