SCHEMBL2861366

SCHEMBL2861366

N#Cc1ccc2[nH]ncc2c1F

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.44
METAP2 P50579 3/20 0.39
AXL P30530 2/20 0.39
MET P08581 1/20 0.38
NOS1 P29475 3/20 0.38
IDO1 P14902 1/20 0.36
LRRK2 Q5S007 1/20 0.36
MAP4K1 Q92918 2/20 0.35
DRD1 P21728 1/20 0.35
PIK3CD O00329 1/20 0.34

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
SCHEMBL2430327 0.80 TRPA1 (0.42) TRPA1METAP2AXLMETNOS1
SCHEMBL5407599 0.79 MET (0.44) TRPA1METAP2AXLMETNOS1
SCHEMBL13745163 0.79 NOS1 (0.46) TRPA1METAP2AXLMETNOS1
SCHEMBL2427200 0.78 AXL (0.46) TRPA1METAP2AXLMET
SCHEMBL15808424 0.75 METAP2 (0.39) TRPA1METAP2AXLMETNOS1
SCHEMBL31411470 0.75 TRPA1 (0.50) TRPA1METAP2AXLNOS1IDO1
SCHEMBL27051452 0.75 MET (0.39) TRPA1METAP2AXLMETNOS1
SCHEMBL4141136 0.75 BRD4 (0.43) TRPA1METAP2AXLMETNOS1
SCHEMBL457549 0.74 NOS1 (0.53) TRPA1METAP2AXLMETNOS1
SCHEMBL30751781 0.74 NOS1 (0.53) TRPA1METAP2AXLMETNOS1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024175086-A1 ARYL TRICYCLIC STING AGONIST AND USE THEREOF 深圳真实生物医药科技有限公司 2024-08-29 WO disclosed
WO-2023109461-A1 BENZOTHIOPHENE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 中国科学院上海药物研究所 2023-06-22 WO disclosed
CN-101558040-B Dihydropyridine derivatives useful as protein kinase inhibitors BAYER SCHERING PHARMA AG 2013-03-27 CN disclosed
EP-2121608-B1 DIHYDROPYRIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS BAYER IP GMBH (DE) 2012-11-14 EP disclosed
US-8198456-B2 e.g. 1,4-dihydro-4-(1H-indazol-5-yl)-2,6-dimethyl-3,5-pyridinedicarbonitrile; c-Met tyrosine kinase inhibitor; antitumor agent; lung, liver, gastric and breast solid tumors; pancreatic cancer, glioma, and hepatocellular carcinoma BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-12 US disclosed
US-8198456-B2 e.g. 1,4-dihydro-4-(1H-indazol-5-yl)-2,6-dimethyl-3,5-pyridinedicarbonitrile; c-Met tyrosine kinase inhibitor; antitumor agent; lung, liver, gastric and breast solid tumors; pancreatic cancer, glioma, and hepatocellular carcinoma BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-12 US disclosed
US-8198456-B2 e.g. 1,4-dihydro-4-(1H-indazol-5-yl)-2,6-dimethyl-3,5-pyridinedicarbonitrile; c-Met tyrosine kinase inhibitor; antitumor agent; lung, liver, gastric and breast solid tumors; pancreatic cancer, glioma, and hepatocellular carcinoma BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-12 US disclosed
US-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 US disclosed
WO-2010020307-A2 INDAZOLE-5-CARBOXYLIC ACID HYDRAZIDE DERIVATIVES MERCK PATENT GMBH (DE) 2010-02-25 WO disclosed
WO-2010020307-A2 INDAZOLE-5-CARBOXYLIC ACID HYDRAZIDE DERIVATIVES MERCK PATENT GMBH (DE) 2010-02-25 WO disclosed
CN-1300116-C 1H-indazole compounds EISAI CO LTD (JP) 2007-02-14 CN disclosed
US-6982274-B2 1H-indazole compound EISAI CO., LTD. (JP) 2006-01-03 US disclosed
US-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
CN-1656079-A Pyrazole compounds and pharmaceutical compositions containing the same EISAI CO LTD (JP) 2005-08-17 CN disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 EP disclosed
CN-1512987-A Novel 1H-indazole compound ������������ʽ���� 2004-07-14 CN disclosed
US-20040127538-A1 Novel 1h-indazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-07-01 US disclosed
EP-1380576-A1 NOVEL 1H-INDAZOLE COMPOUND Eisai Co., Ltd. (JP) 2004-01-14 EP 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 (3 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-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B TRPA1 1859/4885METAP2 4792/4885AXL 1396/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 TRPA1 755/4885METAP2 4837/4885AXL 2312/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 TRPA1 308/4885METAP2 4773/4885AXL 3010/4885

“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.