SCHEMBL4529362

SCHEMBL4529362

NC(=O)[C@@H](Cc1ccc(O)cc1)Nc1ccc(-c2ccncc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 2/20 0.42
ROCK1 Q13464 6/20 0.42
ROCK2 O75116 5/20 0.42
HPGDS O60760 2/20 0.41
CYP17A1 P05093 2/20 0.40
AAK1 Q2M2I8 1/20 0.40
GRIA1 P42261 1/20 0.40
SCN9A Q15858 1/20 0.40
ACE P12821 1/20 0.40
PRKACA P17612 2/20 0.39
IRAK1 P51617 2/20 0.39
PRKX P51817 2/20 0.39
PRKG1 Q13976 2/20 0.39
PKN2 Q16513 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
RPS6KB1 P23443 1/20 0.39
LIMK1 P53667 1/20 0.39
PRKG2 Q13237 1/20 0.39
HIPK4 Q8NE63 1/20 0.39
AURKB Q96GD4 1/20 0.39

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
SCHEMBL27723699 0.88 GPR142 (0.47) ROCK1ROCK2CYP17A1AAK1SCN9A
SCHEMBL27744394 0.88 ROCK2 (0.52) ROCK1ROCK2PRKACAIRAK1PRKX
SCHEMBL4521922 0.88 GPR142 (0.47) ROCK1ROCK2CYP17A1AAK1SCN9A
SCHEMBL4530051 0.88 ROCK2 (0.52) ROCK1ROCK2PRKACAIRAK1PRKX
SCHEMBL4523467 0.88 GPR142 (0.47) ROCK1ROCK2CYP17A1AAK1SCN9A
SCHEMBL4527537 0.88 ROCK2 (0.54) ROCK1ROCK2HPGDSPRKACAIRAK1
SCHEMBL4514306 0.86 KIF11 (0.48) ROCK1ROCK2PRKACAIRAK1PRKX
SCHEMBL27723705 0.86 KIF11 (0.48) ROCK1ROCK2PRKACAIRAK1PRKX
SCHEMBL4512622 0.85 GPR142 (0.50) KMT2AGSK3AGSK3BCYP11B1CYP11B2
SCHEMBL4516299 0.85 GPR142 (0.50) ROCK1ROCK2PRKACAIRAK1PRKG1

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 LHCGR 3832/4885ROCK1 1/4885ROCK2 2/4885

“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.