SCHEMBL4531200

SCHEMBL4531200

O=C(Nc1ccc(-c2ccncc2)cc1)N[C@@H](CCO)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 17/20 0.81
ROCK1 Q13464 16/20 0.81
GSK3B P49841 4/20 0.70
CLK4 Q9HAZ1 4/20 0.70
GSK3A P49840 3/20 0.70
PRKACA P17612 2/20 0.70
PRKX P51817 2/20 0.70
PRKCQ Q04759 2/20 0.70
CDK8 P49336 1/20 0.70
CDC42BPA Q5VT25 3/20 0.55
RPS6KA5 O75582 3/20 0.55
AKT1 P31749 3/20 0.55
NEK4 P51957 3/20 0.55
PRKCD Q05655 3/20 0.55
PRKG2 Q13237 3/20 0.55
PRKG1 Q13976 3/20 0.55
PKN2 Q16513 3/20 0.55
MAPK13 O15264 2/20 0.55
MAP4K4 O95819 2/20 0.55
PRKCG P05129 2/20 0.55

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
SCHEMBL4526981 1.00 ROCK2 (0.81) ROCK2ROCK1GSK3BCLK4GSK3A
SCHEMBL4533393 0.90 ROCK2 (1.00) ROCK2ROCK1GSK3BCLK4GSK3A
SCHEMBL4531729 0.90 ROCK2 (1.00) ROCK2ROCK1GSK3BCLK4GSK3A
SCHEMBL16227497 0.90 ROCK2 (1.00) ROCK2ROCK1GSK3BCLK4GSK3A
SCHEMBL24859313 0.83 ROCK2 (0.74) ROCK2ROCK1GSK3BCLK4GSK3A
SCHEMBL3240825 0.82 ROCK2 (1.00) ROCK2ROCK1CDC42BPA
SCHEMBL3111251 0.82 ROCK1 (1.00) ROCK2ROCK1GSK3BCLK4GSK3A
SCHEMBL3109522 0.82 ROCK1 (1.00) ROCK2ROCK1GSK3BCLK4GSK3A
SCHEMBL24859336 0.81 ROCK2 (0.71) ROCK2ROCK1GSK3BCLK4GSK3A
SCHEMBL4533295 0.79 ROCK2 (0.68) ROCK2ROCK1GSK3BCLK4GSK3A

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 7 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
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 1/4885GSK3B 89/4885

“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.