SCHEMBL4525577

SCHEMBL4525577

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 16/20 0.77
ROCK1 Q13464 12/20 0.77
CLK4 Q9HAZ1 4/20 0.55
GSK3B P49841 3/20 0.55
PRKACA P17612 3/20 0.55
PRKX P51817 3/20 0.55
PRKG1 Q13976 3/20 0.55
RPS6KA5 O75582 2/20 0.55
RPS6KA4 O75676 2/20 0.55
MAPK1 P28482 2/20 0.55
LIMK1 P53667 2/20 0.55
IRAK1 P51617 2/20 0.54
PKN2 Q16513 2/20 0.54
GSK3A P49840 1/20 0.54
SGK2 Q9HBY8 1/20 0.54
NAMPT P43490 1/20 0.48
PIN1 Q13526 2/20 0.47
CDC7 O00311 1/20 0.47
MAP4K4 O95819 1/20 0.47
PIM1 P11309 1/20 0.47

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
SCHEMBL27723706 1.00 ROCK2 (0.77) ROCK2ROCK1CLK4GSK3BPRKACA
SCHEMBL27744447 0.87 ROCK1 (0.78) ROCK2ROCK1CLK4GSK3BPRKACA
SCHEMBL4521962 0.87 ROCK1 (0.78) ROCK2ROCK1CLK4GSK3BPRKACA
SCHEMBL15141125 0.87 ROCK2 (1.00) ROCK2ROCK1CLK4GSK3BPRKACA
SCHEMBL4532179 0.87 ROCK2 (1.00) ROCK2ROCK1CLK4GSK3BPRKACA
SCHEMBL16227543 0.87 ROCK2 (1.00) ROCK2ROCK1CLK4GSK3BPRKACA
SCHEMBL4534345 0.82 ROCK2 (0.72) ROCK2ROCK1CLK4GSK3BNAMPT
Hydrochloric Acid SCHEMBL31651005 0.81 ROCK2 (0.70) ROCK2ROCK1CLK4GSK3BNAMPT
SCHEMBL4513647 0.81 ROCK1 (0.71) ROCK2ROCK1CLK4GSK3BPRKACA
SCHEMBL27744442 0.81 ROCK1 (0.71) ROCK2ROCK1CLK4GSK3BPRKACA

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 8 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
CN-101253152-A Amide derivatives as ROCK inhibitors ASTELLAS PHARMA INC (JP) 2008-08-27 CN 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 1/4885CLK4 2269/4885

“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.