SCHEMBL4995902

SCHEMBL4995902

CC1=C(C#N)C(c2cccc(-c3cncnc3)c2)C(C#N)=C(C)N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
MET P08581 6/20 0.48
RPS6KA3 P51812 1/20 0.48
KDM4E B2RXH2 8/20 0.45
ALDH1A1 P00352 8/20 0.45
HPGD P15428 6/20 0.45
GAA P10253 4/20 0.45
GLA P06280 3/20 0.45
CASP1 P29466 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CASP7 P55210 1/20 0.45
MAPT P10636 4/20 0.43
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
DRD5 P21918 1/20 0.39
HTR2C P28335 1/20 0.39
HTR6 P50406 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
SCHEMBL4988077 0.88 MAPK1 (0.55) SMN1; SMN2POLBMAPK1METRPS6KA3
SCHEMBL4999830 0.77 SMN1; SMN2 (0.51) SMN1; SMN2POLBMAPK1METRPS6KA3
SCHEMBL4995443 0.75 KDM4E (0.48) SMN1; SMN2POLBMAPK1METRPS6KA3
SCHEMBL10663996 0.75 ALDH1A1 (0.64) SMN1; SMN2POLBMAPK1METRPS6KA3
SCHEMBL3037272 0.75 SMN1; SMN2 (0.53) SMN1; SMN2POLBMAPK1METRPS6KA3
SCHEMBL13685526 0.75 SMN1; SMN2 (0.53) SMN1; SMN2POLBMAPK1METRPS6KA3
SCHEMBL14273571 0.75 ALDH1A1 (0.61) SMN1; SMN2POLBMAPK1METRPS6KA3
SCHEMBL13685440 0.75 SMN1; SMN2 (0.53) SMN1; SMN2POLBMAPK1METRPS6KA3
SCHEMBL4995669 0.74 L3MBTL1 (0.50) SMN1; SMN2POLBMAPK1METRPS6KA3
SCHEMBL7815153 0.73 KDM4E (0.60) SMN1; SMN2POLBMAPK1METRPS6KA3

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.