SCHEMBL4442956

SCHEMBL4442956

CNC(=O)c1cccc(C2C(C#N)=C(C)NC(c3ccc(N)cc3)=C2C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.43
DRD5 P21918 1/20 0.43
HTR2C P28335 1/20 0.43
HTR6 P50406 1/20 0.43
MAPT P10636 8/20 0.40
ALDH1A1 P00352 7/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 8/20 0.37
GAA P10253 5/20 0.37
LMNA P02545 3/20 0.37
ALOX12 P18054 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
GABRA1 P14867 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 2/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL4435327 0.92 MET (0.43) METDRD5HTR2CHTR6MAPT
SCHEMBL4431472 0.92 MAPT (0.47) METDRD5HTR2CHTR6MAPT
SCHEMBL4995786 0.91 MAPT (0.40) METDRD5HTR2CHTR6MAPT
SCHEMBL4443671 0.89 MET (0.45) METDRD5HTR2CHTR6MAPT
SCHEMBL4436080 0.87 SMN1; SMN2 (0.46) METMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL4995547 0.84 ALDH1A1 (0.37) METDRD5HTR2CHTR6MAPT
SCHEMBL4992558 0.84 FYN (0.41) METDRD5HTR2CHTR6MAPT
SCHEMBL4999942 0.82 TNIK (0.44) METDRD5HTR2CHTR6MAPT
SCHEMBL4433397 0.81 MAPT (0.50) METDRD5HTR2CHTR6MAPT
SCHEMBL4431525 0.80 MET (0.45) METDRD5HTR2CHTR6MAPT

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 10 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
CN-101558040-A Dihydropyridine derivatives useful as protein kinase inhibitors BAYER SCHERING PHARMA AG (DE) 2009-10-14 CN 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
CN-101558040-A Dihydropyridine derivatives useful as protein kinase inhibitors BAYER SCHERING PHARMA AG (DE) 2009-10-14 CN 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 MET 1/4885DRD5 2112/4885HTR2C 2151/4885

“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.