SCHEMBL4517312

SCHEMBL4517312

CC(C)(C)OC(=O)N(C(=O)[C@H](N)Cc1ccc(Cl)cc1)c1ccc(-c2ccncc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 3/20 0.43
ROCK2 O75116 2/20 0.41
PRKACA P17612 1/20 0.41
RPS6KB1 P23443 1/20 0.41
IRAK1 P51617 1/20 0.41
PRKX P51817 1/20 0.41
LIMK1 P53667 1/20 0.41
PRKG2 Q13237 1/20 0.41
ROCK1 Q13464 1/20 0.41
PRKG1 Q13976 1/20 0.41
PKN2 Q16513 1/20 0.41
HIPK4 Q8NE63 1/20 0.41
AURKB Q96GD4 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
CSNK1G1 Q9HCP0 1/20 0.41
CYP17A1 P05093 1/20 0.39
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 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
SCHEMBL4527459 0.90 GPR142 (0.43) GPR142ROCK1CYP17A1
SCHEMBL4514376 0.90 GPR142 (0.43) GPR142ROCK1CYP17A1
SCHEMBL4533231 0.89 GPR142 (0.38) GPR142CYP17A1CYP3A4
SCHEMBL4519177 0.89 GPR142 (0.46) GPR142ROCK1CYP17A1CYP3A4LSS
SCHEMBL4526794 0.89 TPH1 (0.39) GPR142CYP17A1AKT1
SCHEMBL4523323 0.87 GPR142 (0.45) GPR142CYP17A1
SCHEMBL4516262 0.86 MC4R (0.39) GPR142ROCK1CYP17A1NPC1
SCHEMBL4525695 0.85 P2RX7 (0.38) ROCK2ROCK1CYP17A1AKT1
SCHEMBL4519488 0.85 MAP4K4 (0.36) ROCK2CLK4CYP3A4CYP1A2CYP2D6
SCHEMBL4524956 0.82 ROCK1 (0.50) GPR142ROCK2PRKACAROCK1CLK4

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 GPR142 3166/4885ROCK2 2/4885PRKACA 659/4885

“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.