SCHEMBL399329

SCHEMBL399329

Nc1nccc2[nH]ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.45
NOS3 P29474 3/20 0.42
NOS2 P35228 3/20 0.42
F12 P00748 1/20 0.42
PLAU P00749 1/20 0.42
NCF1 P14598 1/20 0.42
NOS1 P29475 1/20 0.42
BACE1 P56817 1/20 0.42
PRKCI P41743 3/20 0.39
AXL P30530 1/20 0.39
PIK3CD O00329 1/20 0.39
DRD1 P21728 4/20 0.39
FYN P06241 1/20 0.38
AHR P35869 1/20 0.38
ROCK1 Q13464 3/20 0.37
TGFBR1 P36897 2/20 0.37
CHUK O15111 2/20 0.37
KDR P35968 2/20 0.37
JAK3 P52333 2/20 0.37
AURKB Q96GD4 2/20 0.37

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
Hydrochloric Acid SCHEMBL5088055 0.98 TRPA1 (0.44) TRPA1NOS3NOS2F12PLAU
SCHEMBL4550230 0.74 PDE3B (0.58) TRPA1PRKCIAXLPIK3CDDRD1
SCHEMBL27833574 0.74 TRPA1 (0.45) TRPA1PRKCIAXLPIK3CDDRD1
SCHEMBL961508 0.74 PRKCI (0.48) TRPA1PRKCIAXLPIK3CDDRD1
SCHEMBL1154939 0.74 TRPA1 (0.45) TRPA1PRKCIAXLPIK3CDDRD1
SCHEMBL1853729 0.74 TRPA1 (0.45) TRPA1PRKCIAXLPIK3CDDRD1
SCHEMBL1019530 0.74 PDE3B (0.53) TRPA1PRKCIAXLPIK3CDDRD1
SCHEMBL28315998 0.74 TRPA1 (0.45) TRPA1PRKCIAXLPIK3CDDRD1
SCHEMBL15058190 0.74 TRPA1 (0.41) TRPA1PRKCIAXLPIK3CDDRD1
SCHEMBL146920 0.70 TRPA1 (0.39) TRPA1PRKCIAXLPIK3CDDRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
WO-2025026997-A1 SUBSTITUED BICYCLIC HETEROCYCLIC YAP-TEAD AND/OR TAZ-TEAD INHIBITORS MERCK PATENT GMBH (DE) 2025-02-06 WO disclosed
CN-118652251-A 5-Azaindole compound, pharmaceutical composition and application thereof 贵州大学 2024-09-17 CN disclosed
WO-2023146991-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
WO-2023146987-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
CN-113993870-B Imidazo pyrimidine compound containing fused ring group, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-06-13 CN disclosed
EP-3947388-A1 COMPOUNDS TARGETING PRMT5 Aligos Therapeutics, Inc. (US) 2022-02-09 EP disclosed
CN-113993870-A Imidazo pyrimidine compound containing polycyclic group, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2022-01-28 CN disclosed
WO-2020205867-A1 COMPOUNDS TARGETING PRMT5 ALIGOS THERAPEUTICS, INC. (US) 2020-10-08 WO disclosed
WO-2020205867-A1 COMPOUNDS TARGETING PRMT5 ALIGOS THERAPEUTICS, INC. (US) 2020-10-08 WO disclosed
US-7534797-B2 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-05-19 US disclosed
US-7534797-B2 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-05-19 US disclosed
US-20090118499-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI PHARMACEUTICALS, INC. 2009-05-07 US disclosed
US-20090118499-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI PHARMACEUTICALS, INC. 2009-05-07 US disclosed
WO-2008116816-A1 COMBINATION OF CB2 LIGAND AND PARACETAMOL GLAXO GROUP LIMITED (GB) 2008-10-02 WO disclosed
US-20070149521-A1 Bicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. 2007-06-28 US disclosed
US-20070149521-A1 Bicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. 2007-06-28 US disclosed
US-20070149521-A1 Bicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. 2007-06-28 US disclosed
WO-2007064993-A2 BICYCLIC PROTEIN KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2007-06-07 WO disclosed
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors ACERTA PHARMA B.V. (NL) 2006-10-19 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 (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-20090118499-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 TRPA1 2776/4885NOS3 1824/4885NOS2 2324/4885
US-20070149521-A1 Bicyclic protein kinase inhibitors CDK1, MAP4K2, MAP4K3 TRPA1 2017/4885NOS3 1222/4885NOS2 2123/4885
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors IGF1R, MAP2K7, BRCA1 TRPA1 2776/4885NOS3 1824/4885NOS2 2324/4885

“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.