SCHEMBL4435333

SCHEMBL4435333

CC1=C(C#N)C(c2cccc(NC(=O)c3ccccn3)c2)C(C#N)=C(C)N1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 8/20 0.58
KDR P35968 8/20 0.53
KCNK3 O14649 1/20 0.52
KCNK9 Q9NPC2 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
MET P08581 1/20 0.47
MERTK Q12866 1/20 0.47
GABRA1 P14867 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46

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
SCHEMBL4441943 0.84 KCNK3 (0.54) KCNK3KCNK9SMN1; SMN2POLBMAPK1
SCHEMBL4995628 0.83 POLB (0.46) GRM4SMN1; SMN2POLBMAPK1MET
SCHEMBL4989202 0.83 SMN1; SMN2 (0.47) SMN1; SMN2POLBMAPK1NPC1RAB9A
SCHEMBL4435113 0.83 SMN1; SMN2 (0.47) SMN1; SMN2POLBMAPK1METGABRA1
SCHEMBL4997666 0.82 HSD17B10 (0.47) SMN1; SMN2POLBMAPK1RAB9AMET
SCHEMBL4433771 0.81 KCNK3 (0.56) KCNK3SMN1; SMN2POLBMAPK1NPC1
SCHEMBL4995819 0.80 SMN1; SMN2 (0.49) SMN1; SMN2POLBMAPK1NPC1RAB9A
SCHEMBL9909117 0.80 SMN1; SMN2 (0.44) SMN1; SMN2POLBMAPK1NPC1RAB9A
SCHEMBL4433365 0.79 SMN1; SMN2 (0.53) SMN1; SMN2POLBMAPK1NPC1RAB9A
SCHEMBL4443399 0.78 GABRA1 (0.44) SMN1; SMN2POLBMAPK1METGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 GRM4 1952/4885KDR 145/4885KCNK3 2385/4885

“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.