SCHEMBL4520251

SCHEMBL4520251

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.43
ROCK1 Q13464 11/20 0.43
GSK3B P49841 7/20 0.43
CLK4 Q9HAZ1 7/20 0.43
RPS6KA5 O75582 6/20 0.43
PRKG1 Q13976 6/20 0.43
PKN2 Q16513 5/20 0.43
MAPK1 P28482 5/20 0.43
GSK3A P49840 4/20 0.43
SGK2 Q9HBY8 4/20 0.43
PRKACA P17612 4/20 0.43
PRKX P51817 4/20 0.43
IRAK1 P51617 3/20 0.43
RPS6KA4 O75676 2/20 0.43
MAP4K4 O95819 4/20 0.39
MKNK2 Q9HBH9 2/20 0.39
CDC7 O00311 1/20 0.39
AKT1 P31749 4/20 0.38
PRKCD Q05655 4/20 0.38
PRKG2 Q13237 4/20 0.38

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
SCHEMBL4518614 0.82 ROCK2 (0.49) ROCK2ROCK1GSK3BCLK4RPS6KA5
SCHEMBL4520248 0.80 CIT (0.43) ROCK2ROCK1GSK3BCLK4RPS6KA5
SCHEMBL27723703 0.77 ROCK2 (0.46) ROCK2ROCK1GSK3BCLK4RPS6KA5
SCHEMBL4533605 0.75 MAPT (0.48) ROCK2ROCK1GSK3BCLK4RPS6KA5
SCHEMBL4517315 0.69 ROCK2 (0.44) ROCK2ROCK1CLK4PRKG1PKN2
SCHEMBL4530676 0.67 GPR142 (0.40) ROCK2ROCK1GSK3BCLK4RPS6KA5
SCHEMBL4533602 0.67 CIT (0.61) ROCK2ROCK1GSK3BCLK4RPS6KA5
SCHEMBL4523329 0.67 GPR142 (0.40) GSK3BGSK3AMAPKAPK2GPR142CTSL
SCHEMBL4514379 0.67 GRM2 (0.41) ROCK1GPR142
SCHEMBL4527461 0.67 GRM2 (0.41) ROCK1GPR142

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 ROCK2 2/4885ROCK1 1/4885GSK3B 89/4885

“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.