SCHEMBL4524959

SCHEMBL4524959

CC(C)(C)OC(=O)N(c1ccc(-c2ccncc2)cc1)[C@H](Cc1cccc(F)c1)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 3/20 0.51
ROCK2 O75116 4/20 0.44
CDC7 O00311 1/20 0.44
MAP4K4 O95819 1/20 0.44
PIM1 P11309 1/20 0.44
CDK2 P24941 1/20 0.44
GSK3B P49841 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
MGLL Q99685 1/20 0.41
F10 P00742 1/20 0.40
PRSS1 P07477 1/20 0.40
CTSS P25774 2/20 0.39
CTSK P43235 1/20 0.39
ABHD6 Q9BV23 2/20 0.38
SLC7A5 Q01650 1/20 0.37
AURKA O14965 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
SLC1A1 P43005 2/20 0.35

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 0.88 GRM2 (0.41) ROCK1MGLLCTSSCTSKGRM2
SCHEMBL4514379 0.88 GRM2 (0.41) ROCK1MGLLCTSSCTSKGRM2
SCHEMBL4526796 0.83 KIF11 (0.39) ROCK1ROCK2GSK3BCLK4MGLL
SCHEMBL4512483 0.83 CTSS (0.38) ROCK1ROCK2MGLLCTSSCTSK
SCHEMBL4517315 0.82 ROCK2 (0.44) ROCK1ROCK2CLK4PRKACA
SCHEMBL4524956 0.82 ROCK1 (0.50) ROCK1ROCK2CDC7MAP4K4PIM1
SCHEMBL4533235 0.81 CYP17A1 (0.39) ROCK1ROCK2CLK4MGLLF10
SCHEMBL4519180 0.81 GPR142 (0.41) ROCK1ROCK2CDC7MAP4K4CDK2
SCHEMBL4514249 0.80 ROCK2 (0.37) ROCK1ROCK2CDC7GSK3BCLK4
SCHEMBL4523329 0.80 GPR142 (0.40) GSK3BCTSSCTSKCTSL

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 ROCK1 1/4885ROCK2 2/4885CDC7 2142/4885

“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.