SCHEMBL9909094

SCHEMBL9909094

CC1=C(C#N)[C@@H](C)C(C#N)=C(c2cccc(O)c2)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 5/20 0.37
MAPT P10636 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
MET P08581 2/20 0.36
DRD5 P21918 1/20 0.36
HTR2C P28335 1/20 0.36
HTR6 P50406 1/20 0.36
AR P10275 1/20 0.36
HSD17B1 P14061 5/20 0.36
HSD17B2 P37059 5/20 0.36
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
ADORA2B P29275 1/20 0.35

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
SCHEMBL14155664 0.86 AR (0.38) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL9906917 0.85 MET (0.41) KDM4EALDH1A1MAPTCYP3A4CYP2C9
SCHEMBL9909075 0.84 KDM4E (0.42) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL14155609 0.84 MAPT (0.46) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL9909073 0.84 MAPT (0.46) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL14155579 0.83 MET (0.38) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL9909097 0.83 MET (0.38) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL9909108 0.81 MAPT (0.44) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL9909110 0.80 MAPT (0.35) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL9909092 0.75 MET (0.53) KDM4EALDH1A1MAPTHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 1582/4885ALDH1A1 1341/4885MAPT 1550/4885

“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.