SCHEMBL4535762

SCHEMBL4535762

O=C(Nc1ccc(-c2ccncc2)cc1)N[C@@H](CO)Cc1cccs1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.69
ROCK1 Q13464 8/20 0.69
RAB9A P51151 5/20 0.52
NPC1 O15118 4/20 0.52
HTT P42858 3/20 0.52
LMNA P02545 2/20 0.52
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
PRKACA P17612 2/20 0.47
IRAK1 P51617 2/20 0.47
PRKX P51817 2/20 0.47
PRKG1 Q13976 2/20 0.47
PKN2 Q16513 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
RPS6KA5 O75582 1/20 0.47
RPS6KA4 O75676 1/20 0.47
MAPK1 P28482 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 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
SCHEMBL27744383 1.00 ROCK2 (0.69) ROCK2ROCK1RAB9ANPC1HTT
SCHEMBL15141125 0.82 ROCK2 (1.00) ROCK2ROCK1PRKACAIRAK1PRKX
SCHEMBL16227543 0.82 ROCK2 (1.00) ROCK2ROCK1PRKACAIRAK1PRKX
SCHEMBL4532179 0.82 ROCK2 (1.00) ROCK2ROCK1PRKACAIRAK1PRKX
SCHEMBL4512609 0.81 ROCK2 (0.73) ROCK2ROCK1RAB9AHTTMEN1
SCHEMBL27744405 0.81 ROCK2 (0.73) ROCK2ROCK1RAB9AHTTMEN1
SCHEMBL27723723 0.80 AAK1 (0.60) ROCK2ROCK1RAB9AHTTLMNA
SCHEMBL4518039 0.80 AAK1 (0.60) ROCK2ROCK1RAB9AHTTLMNA
SCHEMBL4512018 0.80 AAK1 (0.60) ROCK2ROCK1RAB9AHTTLMNA
SCHEMBL4522397 0.79 ROCK2 (0.68) ROCK2ROCK1PRKACAIRAK1PRKX

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 1/4885RAB9A 174/4885

“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.