SCHEMBL9909107

SCHEMBL9909107

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.42
DRD5 P21918 1/20 0.42
HTR2C P28335 1/20 0.42
HTR6 P50406 1/20 0.42
KDM4E B2RXH2 8/20 0.39
GAA P10253 3/20 0.39
ALDH1A1 P00352 9/20 0.38
MAPT P10636 9/20 0.38
HPGD P15428 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 3/20 0.36
HSD17B10 Q99714 3/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
RPS6KA3 P51812 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HIF1A Q16665 1/20 0.34
KMT2A Q03164 3/20 0.33
POLB P06746 2/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL14155635 1.00 MET (0.42) METDRD5HTR2CHTR6KDM4E
SCHEMBL9909075 0.84 KDM4E (0.42) METDRD5HTR2CHTR6KDM4E
SCHEMBL9909108 0.84 MAPT (0.44) METDRD5HTR2CHTR6KDM4E
SCHEMBL9909092 0.84 MET (0.53) METDRD5HTR2CHTR6KDM4E
SCHEMBL9909097 0.84 MET (0.38) METDRD5HTR2CHTR6KDM4E
SCHEMBL14155579 0.84 MET (0.38) METDRD5HTR2CHTR6KDM4E
SCHEMBL14155609 0.83 MAPT (0.46) METDRD5HTR2CHTR6KDM4E
SCHEMBL9906935 0.83 MET (0.47) METDRD5HTR2CHTR6KDM4E
SCHEMBL14155664 0.77 AR (0.38) METDRD5HTR2CHTR6KDM4E
SCHEMBL9909093 0.76 HSD17B10 (0.48) KDM4EGAAALDH1A1MAPTHPGD

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 MET 1/4885DRD5 2112/4885HTR2C 2151/4885

“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.