Sugi Predict

Sugi Predict / Compounds / SCHEMBL4527012

SCHEMBL4527012

SCHEMBL4527012

Nc1nccc(-c2ccc(NC(=O)N[C@H](CO)c3ccccc3)cc2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 15/20 0.65
▸ ROCK1 Q13464 10/20 0.65
▸ PRKACA P17612 2/20 0.47
▸ AURKA O14965 1/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ ADORA2A P29274 1/20 0.47
▸ MAPK1 P28482 5/20 0.45
▸ MAPK13 O15264 1/20 0.44
▸ RPS6KA5 O75582 1/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ PAK4 O96013 1/20 0.44
▸ PRKCG P05129 1/20 0.44
▸ CDK1 P06493 1/20 0.44
▸ RPS6KB1 P23443 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ AKT1 P31749 1/20 0.44
▸ AKT2 P31751 1/20 0.44
▸ CLK2 P49760 1/20 0.44
▸ GSK3A P49840 1/20 0.44
▸ GSK3B P49841 1/20 0.44

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
SCHEMBL4530477 0.85 ROCK2 (0.62) ROCK2ROCK1PRKACAMAPK1MAPK13
SCHEMBL14338332 0.84 MAPK1 (0.63) ROCK2ROCK1PRKACAAURKAHSP90AA1
SCHEMBL14338328 0.84 MAPK1 (0.63) ROCK2ROCK1PRKACAAURKAHSP90AA1
SCHEMBL4531729 0.79 ROCK2 (1.00) ROCK2ROCK1PRKACAMAPK1MAPK13
SCHEMBL16227497 0.79 ROCK2 (1.00) ROCK2ROCK1PRKACAMAPK1MAPK13
SCHEMBL4533393 0.79 ROCK2 (1.00) ROCK2ROCK1PRKACAMAPK1MAPK13
SCHEMBL4528972 0.78 HSP90AA1 (0.52) ROCK2ROCK1PRKACAAURKAHSP90AA1
SCHEMBL4537035 0.78 HSP90AA1 (0.52) ROCK2ROCK1PRKACAAURKAHSP90AA1
SCHEMBL10259472 0.76 ROCK2 (0.74) ROCK2ROCK1PRKACAMAPK1MAPK13
SCHEMBL4522059 0.76 ROCK2 (0.74) ROCK2ROCK1PRKACAMAPK1MAPK13

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 1/4885PRKACA 659/4885

“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.