SCHEMBL9909086

SCHEMBL9909086

Cc1ccc2[nH]ncc2c1F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.47
IDO1 P14902 2/20 0.43
AXL P30530 2/20 0.42
NOS1 P29475 3/20 0.41
CDK2 P24941 3/20 0.38
FLT3 P36888 3/20 0.38
CCNA1 P78396 3/20 0.38
METAP2 P50579 5/20 0.38
CYP1A2 P05177 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
DRD1 P21728 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
SCHEMBL29769117 1.00 TRPA1 (0.47) TRPA1IDO1AXLNOS1CDK2
SCHEMBL8404436 0.79 IDO1 (0.46) TRPA1IDO1AXLNOS1CDK2
SCHEMBL31411470 0.79 TRPA1 (0.50) TRPA1IDO1AXLNOS1CDK2
SCHEMBL7918824 0.76 IDO1 (0.43) TRPA1IDO1AXLNOS1CDK2
SCHEMBL5019954 0.76 TRPA1 (0.47) TRPA1IDO1AXLNOS1CDK2
SCHEMBL3534803 0.76 MAPT (0.52) IDO1AXLNOS1CDK2CCNA1
SCHEMBL19657811 0.76 NOS1 (0.50) TRPA1IDO1AXLNOS1CDK2
SCHEMBL22160446 0.76 NOS1 (0.55) TRPA1IDO1AXLNOS1CDK2
SCHEMBL16178599 0.76 TRPA1 (0.47) TRPA1IDO1AXLNOS1CDK2
SCHEMBL5421701 0.76 TRPA1 (0.47) TRPA1IDO1AXLNOS1CDK2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132480-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE TRI-INSTITUTIONAL THERAPEUTICS DISCOVERY INSTITUTE, INC. 2024-04-25 US disclosed
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 US disclosed
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 US disclosed
WO-2023274246-A1 AMIDE COMPOUND AND USE THEREOF 成都分迪药业有限公司 2023-01-05 WO disclosed
US-11518766-B2 Tricyclic compound, preparation method therefor and use thereof SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD. (CN) 2022-12-06 US disclosed
WO-2022150574-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE CORNELL UNIVERSITY (US) 2022-07-14 WO disclosed
EP-3998263-A1 TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2022-05-18 EP disclosed
WO-2020016235-A1 COMPOUNDS FOR USE IN THE TREATMENT OF FASCIOLIASIS MERCK PATENT GMBH (DE) 2020-01-23 WO disclosed
WO-2019001572-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF 北京泰德制药股份有限公司 2019-01-03 WO disclosed
EP-3421465-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AS WELL AS PREPARATION METHOD AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2019-01-02 EP disclosed
WO-2018130853-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF SCHISTOSOMIASIS SALVENSIS (GB) 2018-07-19 WO disclosed
US-8822468-B2 3-Methyl-imidazo[1,2-b]pyridazine derivatives NOVARTIS AG (CH) 2014-09-02 US disclosed
US-8822468-B2 3-Methyl-imidazo[1,2-b]pyridazine derivatives NOVARTIS AG (CH) 2014-09-02 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-20090264406-A1 3-METHYL-IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES NOVARTIS AG 2009-10-22 US disclosed
US-20090264406-A1 3-METHYL-IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES NOVARTIS AG 2009-10-22 US disclosed
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-24 US 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 (5 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-20090264406-A1 3-METHYL-IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES MET, ERBB2, ALK TRPA1 3323/4885IDO1 1106/4885AXL 38/4885
US-20240132480-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE DLD, GCDH, DLAT TRPA1 4694/4885IDO1 1096/4885AXL 4839/4885
US-11518766-B2 Tricyclic compound, preparation method therefor and use thereof TFPI, TFPI2, F11 TRPA1 1687/4885IDO1 1936/4885AXL 3079/4885
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1A, SCN3A, SCN2A TRPA1 63/4885IDO1 3035/4885AXL 4111/4885
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS MET, DMPK, RET TRPA1 3981/4885IDO1 3697/4885AXL 1139/4885

“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.