SCHEMBL9906916

SCHEMBL9906916

[C-]#[N+]C1=C(c2ccc(CO)cc2)NC(C)=C(C#N)[C@H]1C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 7/20 0.42
KDM4E B2RXH2 1/20 0.32
DRD5 P21918 1/20 0.32
HTR2C P28335 1/20 0.32
HTR6 P50406 1/20 0.32
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
CASP1 P29466 1/20 0.30
HTT P42858 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9906935 0.83 MET (0.47) METKDM4EDRD5HTR2CHTR6
SCHEMBL9906927 0.83 MET (0.44) METKDM4EDRD5HTR2CHTR6
SCHEMBL9906915 0.79 MAPT (0.44) METKDM4EALDH1A1HPGDCASP1
SCHEMBL9906923 0.76 KDM4E (0.43) METKDM4EALDH1A1HPGDCASP1
SCHEMBL9906919 0.75 MET (0.40) METALDH1A1HPGDCASP1HTT
SCHEMBL9906938 0.73 MET (0.41) METKDM4EDRD5HTR2CHTR6
SCHEMBL9906922 0.72 MAPT (0.40) METKDM4EALDH1A1HPGDCASP1
SCHEMBL9906936 0.72 RAB9A (0.39) METKDM4EALDH1A1HPGDHSD17B10
SCHEMBL14155676 0.68 PDCD1 (0.34)
SCHEMBL9906911 0.67 ALDH1A1 (0.35) METALDH1A1HPGDCASP1HTT

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 1/4885KDM4E 1582/4885DRD5 2112/4885

“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.