Sugi Predict

Sugi Predict / Compounds / SCHEMBL4526995

SCHEMBL4526995

SCHEMBL4526995

O=C(Nc1ccc(-c2ccncc2)cc1)N[C@H](CO)c1cccs1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 18/20 0.68
▸ ROCK1 Q13464 15/20 0.68
▸ RPS6KA5 O75582 2/20 0.45
▸ MAP4K4 O95819 2/20 0.45
▸ PRKACA P17612 2/20 0.45
▸ RPS6KB1 P23443 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ AKT1 P31749 2/20 0.45
▸ AKT2 P31751 2/20 0.45
▸ GSK3A P49840 2/20 0.45
▸ GSK3B P49841 2/20 0.45
▸ PRKX P51817 2/20 0.45
▸ NEK4 P51957 2/20 0.45
▸ PRKCD Q05655 2/20 0.45
▸ PRKG2 Q13237 2/20 0.45
▸ PRKG1 Q13976 2/20 0.45
▸ PKN2 Q16513 2/20 0.45
▸ CDC42BPA Q5VT25 2/20 0.45
▸ CLK4 Q9HAZ1 2/20 0.45
▸ SGK2 Q9HBY8 2/20 0.45

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
SCHEMBL27723721 1.00 ROCK2 (0.68) ROCK2ROCK1RPS6KA5MAP4K4PRKACA
SCHEMBL4522397 1.00 ROCK2 (0.68) ROCK2ROCK1RPS6KA5MAP4K4PRKACA
SCHEMBL4531729 0.81 ROCK2 (1.00) ROCK2ROCK1RPS6KA5MAP4K4PRKACA
SCHEMBL4533393 0.81 ROCK2 (1.00) ROCK2ROCK1RPS6KA5MAP4K4PRKACA
SCHEMBL16227497 0.81 ROCK2 (1.00) ROCK2ROCK1RPS6KA5MAP4K4PRKACA
SCHEMBL4518116 0.81 ROCK2 (0.62) ROCK2ROCK1RPS6KA5MAP4K4PRKACA
SCHEMBL27723747 0.81 ROCK2 (0.72) ROCK2ROCK1RPS6KA5MAP4K4PRKACA
SCHEMBL4525047 0.81 ROCK2 (0.72) ROCK2ROCK1RPS6KA5MAP4K4PRKACA
SCHEMBL4535762 0.79 ROCK2 (0.69) ROCK2ROCK1RPS6KA5PRKACARPS6KB1
SCHEMBL27744383 0.79 ROCK2 (0.69) ROCK2ROCK1RPS6KA5PRKACARPS6KB1

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 1/4885RPS6KA5 1769/4885

“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.