SCHEMBL4526796

SCHEMBL4526796

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.39
CYP17A1 P05093 1/20 0.39
MGLL Q99685 1/20 0.37
SLC22A12 Q96S37 1/20 0.35
ROCK1 Q13464 3/20 0.35
ROCK2 O75116 2/20 0.35
PRKACA P17612 2/20 0.35
IRAK1 P51617 2/20 0.35
PRKX P51817 2/20 0.35
PRKG1 Q13976 2/20 0.35
PKN2 Q16513 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
RPS6KB1 P23443 1/20 0.35
LIMK1 P53667 1/20 0.35
PRKG2 Q13237 1/20 0.35
HIPK4 Q8NE63 1/20 0.35
AURKB Q96GD4 1/20 0.35
CSNK1G1 Q9HCP0 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL4527461 0.91 GRM2 (0.41) CYP17A1MGLLROCK1AAK1
SCHEMBL4514379 0.91 GRM2 (0.41) CYP17A1MGLLROCK1AAK1
SCHEMBL4517315 0.89 ROCK2 (0.44) CYP17A1ROCK1ROCK2PRKACAIRAK1
SCHEMBL4533235 0.88 CYP17A1 (0.39) CYP17A1MGLLROCK1ROCK2PRKACA
SCHEMBL4519180 0.88 GPR142 (0.41) CYP17A1SLC22A12ROCK1ROCK2PRKACA
SCHEMBL4523329 0.86 GPR142 (0.40) CYP17A1SLC22A12GPR119GSK3AGSK3B
SCHEMBL4516266 0.85 NPC1 (0.39) CYP17A1ROCK1
SCHEMBL4524959 0.83 ROCK1 (0.51) MGLLROCK1ROCK2PRKACACLK4
SCHEMBL4512483 0.82 CTSS (0.38) CYP17A1MGLLROCK1ROCK2PRKACA
SCHEMBL4526794 0.81 TPH1 (0.39) KIF11CYP17A1MGLLAAK1GPR119

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 KIF11 1867/4885CYP17A1 3015/4885MGLL 2662/4885

“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.