SCHEMBL4436081

SCHEMBL4436081

COC(=O)c1n[nH]c2ccc(C=O)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.60
STAT3 P40763 1/20 0.60
HIF1A Q16665 1/20 0.60
CDC7 O00311 1/20 0.46
ALDH1A1 P00352 2/20 0.45
PRKAA1 Q13131 2/20 0.45
PRKAG1 P54619 1/20 0.45
PRKAB1 Q9Y478 1/20 0.45
NAMPT P43490 1/20 0.44
FLT3 P36888 1/20 0.42
DYRK1A Q13627 4/20 0.41
NTRK1 P04629 1/20 0.40
NTRK2 Q16620 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
YTHDC1 Q96MU7 1/20 0.39
DYRK3 O43781 1/20 0.39
MAP4K4 O95819 1/20 0.39

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
SCHEMBL1963000 0.85 KDM4E (0.43) KDM4ESTAT3HIF1ACDC7ALDH1A1
SCHEMBL1963276 0.82 PRKAG1 (0.52) PRKAA1PRKAG1PRKAB1KIF11
SCHEMBL4429972 0.81 PRKAA1 (0.41) KDM4ESTAT3HIF1ACDC7PRKAA1
SCHEMBL4793050 0.81 KDM4E (0.65) KDM4ESTAT3HIF1ACDC7ALDH1A1
SCHEMBL173308 0.81 KDM4E (0.65) KDM4ESTAT3HIF1ACDC7ALDH1A1
SCHEMBL4793264 0.79 KDM4E (0.63) KDM4ESTAT3HIF1ACDC7ALDH1A1
SCHEMBL4291226 0.79 KDM4E (0.63) KDM4ESTAT3HIF1ACDC7PRKAA1
SCHEMBL1141823 0.79 KDM4E (0.63) KDM4ESTAT3HIF1ACDC7ALDH1A1
SCHEMBL4794844 0.79 KDM4E (0.63) KDM4ESTAT3HIF1ACDC7ALDH1A1
SCHEMBL7345855 0.79 KDM4E (0.63) KDM4ESTAT3HIF1ACDC7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121608-B1 DIHYDROPYRIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS BAYER IP GMBH (DE) 2012-11-14 EP claimed
EP-2121608-A1 DIHYDROPYRIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS Bayer Schering Pharma AG (DE) 2009-11-25 EP claimed
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-24 US claimed
WO-2008071451-A1 DIHYDROPYRIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO claimed
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
EP-2121608-A1 DIHYDROPYRIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS Bayer Schering Pharma AG (DE) 2009-11-25 EP 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
WO-2008071451-A1 DIHYDROPYRIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO 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 KDM4E 1582/4885STAT3 1853/4885HIF1A 1048/4885

“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.