SCHEMBL9909075

SCHEMBL9909075

CC1=C(C#N)[C@@H](C)C(C#N)=C(c2ccc(O)cc2)N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 7/20 0.41
MET P08581 3/20 0.39
DRD5 P21918 1/20 0.39
HTR2C P28335 1/20 0.39
HTR6 P50406 1/20 0.39
MMP3 P08254 1/20 0.39
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
AR P10275 2/20 0.35
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA6 P23280 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL9909107 0.84 MET (0.42) KDM4EALDH1A1METDRD5HTR2C
SCHEMBL14155635 0.84 MET (0.42) KDM4EALDH1A1METDRD5HTR2C
SCHEMBL9909092 0.84 MET (0.53) KDM4EALDH1A1METDRD5HTR2C
SCHEMBL9909108 0.84 MAPT (0.44) KDM4EALDH1A1METDRD5HTR2C
SCHEMBL9909094 0.84 KDM4E (0.40) KDM4EALDH1A1METDRD5HTR2C
SCHEMBL14155609 0.83 MAPT (0.46) KDM4EALDH1A1METDRD5HTR2C
SCHEMBL9906934 0.83 MET (0.44) KDM4EALDH1A1METDRD5HTR2C
SCHEMBL9909093 0.79 HSD17B10 (0.48) KDM4EALDH1A1HPGDHTTCASP1
SCHEMBL14155664 0.77 AR (0.38) KDM4EALDH1A1METDRD5HTR2C
SCHEMBL4987966 0.77 ALDH1A1 (0.50) KDM4EALDH1A1METDRD5HTR2C

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 1341/4885MET 1/4885

“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.