SCHEMBL4530676

SCHEMBL4530676

NC(=O)[C@@H](Cc1ccccc1)N(c1ccc(-c2ccncc2)cc1)C1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 2/20 0.40
ROCK2 O75116 8/20 0.39
ROCK1 Q13464 6/20 0.39
GSK3B P49841 4/20 0.39
CLK4 Q9HAZ1 4/20 0.39
MAPK1 P28482 4/20 0.39
RPS6KA5 O75582 3/20 0.39
PRKACA P17612 3/20 0.39
PRKX P51817 3/20 0.39
PRKG1 Q13976 3/20 0.39
GSK3A P49840 2/20 0.39
PKN2 Q16513 2/20 0.39
SGK2 Q9HBY8 2/20 0.39
RPS6KA4 O75676 2/20 0.39
IRAK1 P51617 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
MAP4K4 O95819 2/20 0.37
CDC7 O00311 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
SCHEMBL4525259 0.86 CHRM2 (0.39)
SCHEMBL4530672 0.80 OPRD1 (0.43) GPR142ROCK2ROCK1GSK3BCLK4
SCHEMBL27723703 0.76 ROCK2 (0.46) GPR142ROCK2ROCK1GSK3BCLK4
SCHEMBL4518614 0.76 ROCK2 (0.49) GPR142ROCK2ROCK1GSK3BCLK4
SCHEMBL4533605 0.76 MAPT (0.48) GPR142ROCK2ROCK1GSK3BCLK4
SCHEMBL10261003 0.68 GPR142 (0.52) GPR142ROCK2ROCK1PSMB11PSMA7
SCHEMBL4520251 0.67 ROCK2 (0.43) GPR142ROCK2ROCK1GSK3BCLK4
SCHEMBL4518611 0.67 GPR142 (0.46) GPR142ROCK2ROCK1GSK3BCLK4
SCHEMBL19953687 0.66 TRPM8 (0.39) ALDH1A1
SCHEMBL15577640 0.66 POLB (0.43) ALDH1A1

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 4 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
EP-1922306-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS Astellas Pharma Inc. (JP) 2008-05-21 EP disclosed
WO-2007026920-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-03-08 WO 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 GPR142 3166/4885ROCK2 2/4885ROCK1 1/4885

“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.