SCHEMBL9909117

SCHEMBL9909117

CNC(=O)Nc1cccc(C2C(C#N)=C(C)NC(C)=C2C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
POLB P06746 2/20 0.44
MAPK1 P28482 1/20 0.44
GABRA1 P14867 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
MET P08581 2/20 0.43
RPS6KA3 P51812 1/20 0.43
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 8/20 0.41
MAPT P10636 5/20 0.41
HPGD P15428 3/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 4/20 0.40
LMNA P02545 2/20 0.40
ALOX12 P18054 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL4989202 0.94 SMN1; SMN2 (0.47) SMN1; SMN2POLBMAPK1GABRA1TMEM97
SCHEMBL4435113 0.89 SMN1; SMN2 (0.47) SMN1; SMN2POLBMAPK1GABRA1TMEM97
SCHEMBL4997666 0.88 HSD17B10 (0.47) SMN1; SMN2POLBMAPK1GABRA1TMEM97
SCHEMBL4443399 0.83 GABRA1 (0.44) SMN1; SMN2POLBMAPK1GABRA1TMEM97
SCHEMBL4441943 0.81 KCNK3 (0.54) SMN1; SMN2POLBMAPK1GABRA1TMEM97
SCHEMBL4436080 0.80 SMN1; SMN2 (0.46) SMN1; SMN2POLBMAPK1GABRA1TMEM97
SCHEMBL4435333 0.80 GRM4 (0.58) SMN1; SMN2POLBMAPK1GABRA1TMEM97
SCHEMBL4433771 0.78 KCNK3 (0.56) SMN1; SMN2POLBMAPK1ALDH1A1LMNA
SCHEMBL4995628 0.78 POLB (0.46) SMN1; SMN2POLBMAPK1GABRA1TMEM97
SCHEMBL4433365 0.78 SMN1; SMN2 (0.53) SMN1; SMN2POLBMAPK1GABRA1TMEM97

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 3 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 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

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.