SCHEMBL4993563

SCHEMBL4993563

COC(=O)c1cccc(C2C(C#N)=C(C)NC(C3CCCN(C(=O)OC(C)(C)C)C3)=C2C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTCH1 P46531 8/20 0.43
USP30 Q70CQ3 1/20 0.42
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
CASP1 P29466 1/20 0.41
HTT P42858 1/20 0.41
KLK7 P49862 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGDS O60760 1/20 0.38
PARP1 P09874 1/20 0.38
NR3C2 P08235 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37

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
SCHEMBL4997406 0.89 GLA (0.41) NOTCH1GLAMAPTCASP1HTT
SCHEMBL9888388 0.89 GLA (0.41) GLAMAPTCASP1HTTKLK7
SCHEMBL4443113 0.80 MYC (0.45) MAPTPARP1
SCHEMBL4431498 0.80 MYC (0.45) MAPTPARP1
SCHEMBL9909099 0.77 ALDH1A1 (0.47) USP30GLAMAPTHSD17B10HPGDS
SCHEMBL15821722 0.76 PDE4B (0.57) USP30MAPTHPGDS
SCHEMBL4999841 0.74 NOTCH1 (0.53) NOTCH1
SCHEMBL30379998 0.74 USP30 (0.46) USP30
SCHEMBL26093646 0.74 USP30 (0.46) USP30
SCHEMBL3862182 0.72 NAMPT (0.53) MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NOTCH1 696/4885USP30 3789/4885GLA 4612/4885

“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.