SCHEMBL9906925

SCHEMBL9906925

[C-]#[N+]C1=C(C2CCCNC2)NC(C)=C(C#N)[C@H]1C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2A P28223 1/20 0.34
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
HTT P42858 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
IKBKB O14920 2/20 0.31
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
MET P08581 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
SCHEMBL9909103 0.84 DRD2 (0.40) DRD2DRD3HTR2AALDH1A1HPGD
SCHEMBL14155665 0.76 DRD2 (0.40) DRD2DRD3HTR2AIKBKBCCNT1
SCHEMBL13825428 0.69 DRD2 (0.40) DRD2DRD3HTR2AIKBKBCCNT1
SCHEMBL4996187 0.62 MET (0.59) DRD2DRD3IKBKBMET
SCHEMBL9906927 0.62 MET (0.44) ALDH1A1HPGDCASP1HTTCASP7
SCHEMBL9906923 0.58 KDM4E (0.43) ALDH1A1HPGDCASP1HTTCASP7
SCHEMBL7348015 0.53 DRD2 (1.00) DRD2DRD3CASP1
SCHEMBL16455042 0.53 DRD2 (0.55) DRD2DRD3HTR2AIKBKB
SCHEMBL7348018 0.53 DRD2 (1.00) DRD2DRD3CASP1
SCHEMBL1711100 0.53 HTR3A (0.53) DRD2DRD3HTR2A

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 DRD2 2173/4885DRD3 3452/4885HTR2A 2291/4885

“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.