SCHEMBL4534348

SCHEMBL4534348

NC(=O)[C@@H](Cc1cccc(F)c1)Nc1ccc(-c2ccncc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 7/20 0.59
ROCK2 O75116 9/20 0.54
CDC7 O00311 2/20 0.54
MAP4K4 O95819 1/20 0.54
PIM1 P11309 1/20 0.54
CDK2 P24941 1/20 0.54
GSK3B P49841 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
CYP17A1 P05093 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
AURKA O14965 1/20 0.44
PRKACA P17612 1/20 0.43
NAMPT P43490 1/20 0.42
SLC1A1 P43005 2/20 0.41
PIP4K2A P48426 1/20 0.41

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
SCHEMBL27723731 1.00 ROCK1 (0.59) ROCK1ROCK2CDC7MAP4K4PIM1
SCHEMBL27723699 0.85 GPR142 (0.47) ROCK1ROCK2CDC7MAP4K4PIM1
SCHEMBL4523467 0.85 GPR142 (0.47) ROCK1ROCK2CDC7MAP4K4PIM1
SCHEMBL4521922 0.85 GPR142 (0.47) ROCK1ROCK2CDC7MAP4K4PIM1
SCHEMBL4527537 0.85 ROCK2 (0.54) ROCK1ROCK2CDC7MAP4K4PIM1
SCHEMBL4525158 0.82 ROCK2 (0.48) ROCK1ROCK2CDK2AURKAPRKACA
SCHEMBL27744384 0.82 ROCK2 (0.48) ROCK1ROCK2CDK2AURKAPRKACA
SCHEMBL4630234 0.80 BLM (0.44) ROCK1ROCK2CLK4CYP3A4PRKACA
SCHEMBL4529362 0.79 LHCGR (0.42) ROCK1ROCK2GSK3BCLK4CYP17A1
SCHEMBL4534345 0.79 ROCK2 (0.72) ROCK1ROCK2CDC7MAP4K4PIM1

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.