SCHEMBL4443241

SCHEMBL4443241

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
POLB P06746 2/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 6/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 3/20 0.47
CASP1 P29466 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MET P08581 2/20 0.47
RPS6KA3 P51812 1/20 0.47
PARP1 P09874 3/20 0.46
GAA P10253 2/20 0.45
GABRA1 P14867 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
LMNA P02545 1/20 0.41
CACNA1F O60840 1/20 0.40
CACNA1D Q01668 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40

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
SCHEMBL4997390 0.89 SMN1; SMN2 (0.49) SMN1; SMN2POLBMAPK1ALDH1A1KDM4E
SCHEMBL4436094 0.89 SMN1; SMN2 (0.49) SMN1; SMN2POLBMAPK1ALDH1A1KDM4E
SCHEMBL4436080 0.85 SMN1; SMN2 (0.46) SMN1; SMN2POLBMAPK1ALDH1A1KDM4E
SCHEMBL13685560 0.85 HDAC6 (0.47) SMN1; SMN2POLBMAPK1ALDH1A1KDM4E
SCHEMBL4996282 0.81 SMN1; SMN2 (0.47) SMN1; SMN2POLBMAPK1ALDH1A1KDM4E
SCHEMBL14273571 0.80 ALDH1A1 (0.61) SMN1; SMN2POLBMAPK1ALDH1A1KDM4E
SCHEMBL4433397 0.79 MAPT (0.50) SMN1; SMN2POLBMAPK1ALDH1A1KDM4E
SCHEMBL4994434 0.79 SMN1; SMN2 (0.43) SMN1; SMN2POLBMAPK1ALDH1A1KDM4E
SCHEMBL4997721 0.79 NT5E (0.54) SMN1; SMN2POLBMAPK1ALDH1A1KDM4E
SCHEMBL4435113 0.78 SMN1; SMN2 (0.47) SMN1; SMN2POLBMAPK1ALDH1A1KDM4E

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 SMN1; SMN2 1841/4885POLB 3783/4885MAPK1 168/4885

“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.