SCHEMBL9906915

SCHEMBL9906915

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
HSD17B10 Q99714 2/20 0.44
HTT P42858 2/20 0.44
GLA P06280 1/20 0.44
CASP1 P29466 1/20 0.44
KLK7 P49862 1/20 0.44
CASP7 P55210 1/20 0.44
MET P08581 4/20 0.43
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
GAA P10253 3/20 0.39
TSHR P16473 2/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.34
MEN1 O00255 2/20 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
SCHEMBL9909093 0.86 HSD17B10 (0.48) MAPTHSD17B10HTTGLACASP1
SCHEMBL9906935 0.79 MET (0.47) MAPTHSD17B10HTTCASP1CASP7
SCHEMBL9906927 0.79 MET (0.44) MAPTHSD17B10HTTCASP1CASP7
SCHEMBL9906916 0.79 MET (0.42) MAPTHSD17B10HTTCASP1CASP7
SCHEMBL9906936 0.75 RAB9A (0.39) MAPTHSD17B10METALDH1A1KDM4E
SCHEMBL9906923 0.72 KDM4E (0.43) MAPTHSD17B10HTTGLACASP1
SCHEMBL9906938 0.72 MET (0.41) MAPTMETALDH1A1KDM4EHPGD
SCHEMBL9906919 0.71 MET (0.40) HSD17B10HTTCASP1CASP7MET
SCHEMBL9906922 0.69 MAPT (0.40) MAPTHSD17B10HTTCASP1CASP7
SCHEMBL4437291 0.69 MET (0.57) MAPTHSD17B10HTTGLACASP1

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 MAPT 1550/4885HSD17B10 3938/4885HTT 2390/4885

“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.