SCHEMBL736368

SCHEMBL736368

Nc1ccc2c(c1)CCC(=O)N2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.73
NPC1 O15118 2/20 0.55
MAPK13 O15264 1/20 0.55
MAPK12 P53778 1/20 0.55
MAPK11 Q15759 1/20 0.55
MAPK14 Q16539 1/20 0.55
MAPT P10636 3/20 0.54
ALDH1A1 P00352 1/20 0.54
POLB P06746 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KIF11 P52732 2/20 0.53
CYP11B1 P15538 3/20 0.49
CYP11B2 P19099 3/20 0.49
TBXAS1 P24557 2/20 0.49
PDE3B Q13370 2/20 0.49
PDE3A Q14432 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP1A2 P05177 2/20 0.49
KDM4E B2RXH2 1/20 0.49

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 SCHEMBL17544899 0.98 CA9 (0.71) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL31231828 0.89 CA9 (0.59) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL519951 0.89 CA9 (0.59) CA9NPC1MAPK13MAPK12MAPK11
Methane SCHEMBL28577463 0.87 CA9 (0.57) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL4594845 0.86 KIF11 (0.68) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL29370621 0.85 CA9 (1.00) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL521524 0.85 CA9 (1.00) CA9NPC1MAPK13MAPK12MAPK11
4-Aminophenol SCHEMBL7014541 0.83 CA9 (0.57) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL22660 0.82 AHR (0.61) CA9CYP11B1CYP11B2PDE3BPDE3A
Hydrochloric Acid SCHEMBL15206761 0.81 AHR (0.59) CA9CYP11B1CYP11B2PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230478-A1 4-Alkyl-substituted diaminopyrimidines Bayer ScienceCrop AG (DE) 2011-09-22 US claimed
EP-2330904-A2 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES Bayer CropScience AG (DE) 2011-06-15 EP claimed
US-20110105472-A1 Diaminopyrimidines as crop protection agents BAYER CROPSCIENCE AG (DE) 2011-05-05 US claimed
WO-2010025863-A2 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO claimed
US-20030130505-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. 2003-07-10 US claimed
JP-2003508387-A 2003-03-04 JP claimed
CN-1382124-A Bicyclic androgen and progesterone receptor modulating compounds and methods LIGAND PHARM INC (US) 2002-11-27 CN claimed
EP-1212303-A2 BICYCLIC ANDROGEN AND PROGESTERONE RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2002-06-12 EP claimed
WO-2001016108-A2 BICYCLIC ANDROGEN AND PROGESTERONE RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2001-03-08 WO claimed
JP-54044678-A None JP disclosed
WO-2025245484-A1 FOXN1 ACTIVATORS THYMOFOX INC. (US) 2025-11-27 WO disclosed
EP-3965803-B1 SMALL-MOLECULE FOCAL ADHESION KINASE (FAK) INHIBITORS DANA FARBER CANCER INST INC (US) 2025-08-20 EP disclosed
US-12365696-B2 Small-molecule focal adhesion kinase (FAK) inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2025-07-22 US disclosed
US-12310975-B2 Modulators of BCL6 proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2025-05-27 US disclosed
EP-0145010-B1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-03-14 EP disclosed
EP-0275888-A2 Tricyclic benzimidazoles, process for their preparation and use as medicaments Roche Diagnostics GmbH (DE) 1988-07-27 EP disclosed
US-4593035-A FOR TREATING HEART DISEASE OTSUKA PHARMACEUTICAL COMPANY LIMITED (JP) 1986-06-03 US disclosed
EP-0145010-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-06-19 EP disclosed
US-4415572-A CARDIOTONIC AND INOTROPIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-11-15 US disclosed
JP-S5444678-A 3,4-DIHYDROCARBOSTYRIL DERIVATIVE OTSUKA PHARMACEUT CO LTD 1979-04-09 JP 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-12365696-B2 Small-molecule focal adhesion kinase (FAK) inhibitors PTK2, CTTN, TNK2 CA9 3887/4885NPC1 3988/4885MAPK13 1068/4885
US-12310975-B2 Modulators of BCL6 proteolysis and associated methods of use BCL6, BCL6B, BCL3 CA9 4602/4885NPC1 1672/4885MAPK13 3725/4885
US-20110230478-A1 4-Alkyl-substituted diaminopyrimidines DPM1, DPYD, POLR1C CA9 2561/4885NPC1 4644/4885MAPK13 2219/4885
US-20110105472-A1 Diaminopyrimidines as crop protection agents DDX41, DDX1, DDX5 CA9 1421/4885NPC1 4614/4885MAPK13 2880/4885
US-20030130505-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods AR, NR5A1, PGR CA9 2303/4885NPC1 2502/4885MAPK13 2600/4885

“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.