SCHEMBL4523811

SCHEMBL4523811

O=C(Nc1ccc(-c2ccncc2)cc1)[C@H](O)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.62
ROCK1 Q13464 8/20 0.62
AAK1 Q2M2I8 1/20 0.51
RPS6KA5 O75582 2/20 0.51
PRKACA P17612 2/20 0.51
MAPK1 P28482 2/20 0.51
GSK3A P49840 2/20 0.51
GSK3B P49841 2/20 0.51
PRKX P51817 2/20 0.51
PRKG1 Q13976 2/20 0.51
PKN2 Q16513 2/20 0.51
CLK4 Q9HAZ1 2/20 0.51
SGK2 Q9HBY8 2/20 0.51
RPS6KA4 O75676 1/20 0.51
IRAK1 P51617 1/20 0.51
MAP4K4 O95819 1/20 0.48
PRKCG P05129 1/20 0.48
RPS6KB1 P23443 1/20 0.48
AKT1 P31749 1/20 0.48
PRKCD Q05655 1/20 0.48

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
SCHEMBL4526393 1.00 ROCK2 (0.62) ROCK2ROCK1AAK1RPS6KA5PRKACA
SCHEMBL27723735 1.00 ROCK2 (0.62) ROCK2ROCK1AAK1RPS6KA5PRKACA
SCHEMBL2802593 0.85 ROCK2 (0.64) ROCK2ROCK1AAK1RPS6KA5PRKACA
SCHEMBL10260826 0.85 ROCK2 (0.64) ROCK2ROCK1AAK1RPS6KA5PRKACA
SCHEMBL2802584 0.85 ROCK2 (0.64) ROCK2ROCK1AAK1RPS6KA5PRKACA
Hydrochloric Acid SCHEMBL4525075 0.84 ROCK2 (0.62) ROCK2ROCK1AAK1RPS6KA5PRKACA
SCHEMBL8864057 0.83 MEN1 (0.54) MAPK1POLBGLSHTTMEN1
SCHEMBL10259979 0.83 ROCK2 (0.58) ROCK2ROCK1AAK1RPS6KA5PRKACA
SCHEMBL4522441 0.83 ROCK2 (0.58) ROCK2ROCK1AAK1RPS6KA5PRKACA
SCHEMBL10260920 0.83 ROCK2 (0.58) ROCK2ROCK1AAK1RPS6KA5PRKACA

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 9 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-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
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
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 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
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 ROCK2 2/4885ROCK1 1/4885AAK1 736/4885

“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.