SCHEMBL9906900

SCHEMBL9906900

CNCc1ccc(C(=O)N2CCC(O)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.50
CYP11B2 P19099 1/20 0.48
KMT2A Q03164 1/20 0.47
HDAC4 P56524 1/20 0.46
CCNC P24863 3/20 0.45
CDK8 P49336 3/20 0.45
CDK19 Q9BWU1 1/20 0.45
GRM3 Q14832 1/20 0.45
TYRO3 Q06418 1/20 0.44
GRM5 P41594 1/20 0.44
HTR1A P08908 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL17790204 0.84 LOXL2 (0.56) VNN1KMT2ANPC1RAB9A
SCHEMBL17790257 0.84 LOXL2 (0.56) VNN1KMT2ANPC1RAB9A
SCHEMBL12409671 0.84 CYP11B2 (0.51) VNN1CYP11B2KMT2AHDAC4GRM3
SCHEMBL10076237 0.84 CYP11B2 (0.51) VNN1CYP11B2KMT2AHDAC4GRM3
SCHEMBL13920460 0.84 VNN1 (0.48) VNN1CYP11B2KMT2AHDAC4GRM5
SCHEMBL13920458 0.84 VNN1 (0.48) VNN1CYP11B2KMT2AHDAC4GRM5
SCHEMBL13920471 0.81 LOXL2 (0.51) VNN1CYP11B2KMT2AHDAC4GRM3
SCHEMBL18616788 0.81 CYP11B2 (0.48) VNN1CYP11B2KMT2AHDAC4CCNC
SCHEMBL3817803 0.81 ALDH1A1 (0.50) VNN1KMT2AHTR1AHTR1BHTR2A
SCHEMBL13920470 0.81 LOXL2 (0.51) VNN1CYP11B2KMT2AHDAC4GRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-24 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 (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-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS MET, DMPK, RET VNN1 4514/4885CYP11B2 3258/4885KMT2A 1709/4885

“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.