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Sugi Predict / Compounds / SCHEMBL4515485

SCHEMBL4515485

SCHEMBL4515485

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 13/20 0.65
▸ ROCK2 O75116 12/20 0.65
▸ FPR2 P25090 1/20 0.52
▸ MMP12 P39900 1/20 0.50
▸ MMP13 P45452 1/20 0.50
▸ MAPK1 P28482 3/20 0.49
▸ MAPKAPK2 P49137 2/20 0.49
▸ AURKB Q96GD4 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ PDGFRA P16234 1/20 0.49
▸ RPS6KA1 Q15418 1/20 0.49
▸ CSNK1G1 Q9HCP0 1/20 0.49
▸ TAAR1 Q96RJ0 1/20 0.49
▸ RPS6KA5 O75582 3/20 0.47
▸ AKT1 P31749 3/20 0.47
▸ GSK3B P49841 3/20 0.47
▸ PRKCD Q05655 3/20 0.47
▸ PRKG2 Q13237 3/20 0.47
▸ PRKG1 Q13976 3/20 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
SCHEMBL4525223 1.00 ROCK1 (0.65) ROCK1ROCK2FPR2MMP12MMP13
SCHEMBL27744457 1.00 ROCK1 (0.65) ROCK1ROCK2FPR2MMP12MMP13
SCHEMBL4533295 0.89 ROCK2 (0.68) ROCK1ROCK2FPR2MMP12MMP13
SCHEMBL4529785 0.89 ROCK2 (0.68) ROCK1ROCK2FPR2MMP12MMP13
SCHEMBL10259736 0.85 ROCK2 (0.62) ROCK1ROCK2FPR2MAPK1AURKB
SCHEMBL10259303 0.85 ROCK2 (0.62) ROCK1ROCK2FPR2MAPK1AURKB
Trifluoroacetic Acid SCHEMBL4523856 0.83 ROCK2 (0.60) ROCK1ROCK2FPR2MMP12MMP13
Trifluoroacetic Acid SCHEMBL4513684 0.83 ROCK2 (0.60) ROCK1ROCK2FPR2MMP12MMP13
Trifluoroacetic Acid SCHEMBL27744406 0.83 ROCK2 (0.60) ROCK1ROCK2FPR2MMP12MMP13
SCHEMBL4531077 0.81 HSD17B10 (0.70) ROCK1ROCK2MAPK1AURKBCYP3A4

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
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

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 ROCK1 1/4885ROCK2 2/4885FPR2 3158/4885

“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.