Sugi Predict

Sugi Predict / Compounds / SCHEMBL4513647

SCHEMBL4513647

SCHEMBL4513647

O=C(Nc1ccc(-c2ccncc2)cc1)N[C@@H](CO)Cc1ccccc1F

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 13/20 0.71
▸ ROCK2 O75116 13/20 0.71
▸ PRKACA P17612 5/20 0.51
▸ PRKX P51817 4/20 0.51
▸ PRKG1 Q13976 4/20 0.51
▸ CLK4 Q9HAZ1 4/20 0.51
▸ RPS6KA5 O75582 3/20 0.51
▸ MAPK1 P28482 3/20 0.51
▸ GSK3B P49841 3/20 0.51
▸ RPS6KA4 O75676 2/20 0.51
▸ LIMK1 P53667 2/20 0.51
▸ NAMPT P43490 3/20 0.49
▸ IRAK1 P51617 3/20 0.49
▸ PKN2 Q16513 3/20 0.49
▸ GSK3A P49840 2/20 0.49
▸ SGK2 Q9HBY8 2/20 0.49
▸ RPS6KB1 P23443 2/20 0.42
▸ PRKG2 Q13237 2/20 0.42
▸ HIPK4 Q8NE63 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42

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
SCHEMBL27744442 1.00 ROCK1 (0.71) ROCK1ROCK2PRKACAPRKXPRKG1
SCHEMBL4532179 0.83 ROCK2 (1.00) ROCK1ROCK2PRKACAPRKXPRKG1
SCHEMBL16227543 0.83 ROCK2 (1.00) ROCK1ROCK2PRKACAPRKXPRKG1
SCHEMBL15141125 0.83 ROCK2 (1.00) ROCK1ROCK2PRKACAPRKXPRKG1
SCHEMBL4521962 0.81 ROCK1 (0.78) ROCK1ROCK2PRKACAPRKXPRKG1
SCHEMBL27744447 0.81 ROCK1 (0.78) ROCK1ROCK2PRKACAPRKXPRKG1
SCHEMBL4525577 0.81 ROCK2 (0.77) ROCK1ROCK2PRKACAPRKXPRKG1
SCHEMBL27723706 0.81 ROCK2 (0.77) ROCK1ROCK2PRKACAPRKXPRKG1
SCHEMBL4525345 0.80 AAK1 (0.58) ROCK1ROCK2PRKACALIMK1NAMPT
SCHEMBL27744383 0.78 ROCK2 (0.69) ROCK1ROCK2PRKACAPRKXPRKG1

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 ROCK1 1/4885ROCK2 2/4885PRKACA 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.