SCHEMBL4533602

SCHEMBL4533602

CN(C(=O)[C@H](N)Cc1ccccc1)c1ccc(-c2ccncc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CIT O14578 1/20 0.61
GPR88 Q9GZN0 2/20 0.47
GPR142 Q7Z601 2/20 0.47
ROCK2 O75116 6/20 0.45
ROCK1 Q13464 5/20 0.45
RPS6KA5 O75582 2/20 0.45
PRKACA P17612 2/20 0.45
MAPK1 P28482 2/20 0.45
GSK3A P49840 2/20 0.45
GSK3B P49841 2/20 0.45
PRKX P51817 2/20 0.45
PRKG1 Q13976 2/20 0.45
PKN2 Q16513 2/20 0.45
CLK4 Q9HAZ1 2/20 0.45
SGK2 Q9HBY8 2/20 0.45
RPS6KA4 O75676 1/20 0.45
IRAK1 P51617 1/20 0.45
ALPI P09923 1/20 0.45
PKM P14618 1/20 0.45
PTGS1 P23219 1/20 0.45

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
SCHEMBL16669850 0.85 ALPI (0.58) CITALPIPKMPTGS1XIAP
SCHEMBL16669849 0.85 ALPI (0.58) CITALPIPKMPTGS1XIAP
SCHEMBL4518611 0.84 GPR142 (0.46) CITGPR88GPR142ROCK2ROCK1
SCHEMBL18180135 0.79 CIT (0.52) CITMAPK1ALPIPKMPTGS1
SCHEMBL16669866 0.79 CIT (0.52) CITMAPK1ALPIPKMPTGS1
SCHEMBL30659096 0.79 CIT (0.52) CITMAPK1ALPIPKMPTGS1
SCHEMBL16669867 0.79 CIT (0.52) CITMAPK1ALPIPKMPTGS1
SCHEMBL19962116 0.79 CIT (0.52) CITGPR88ALPIPKMPTGS1
SCHEMBL4533605 0.78 MAPT (0.48) GPR88GPR142ROCK2ROCK1RPS6KA5
SCHEMBL4520248 0.78 CIT (0.43) CITGPR88GPR142ROCK2ROCK1

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-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 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-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA CIT 7/4885GPR88 1449/4885GPR142 3166/4885

“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.