SCHEMBL2802593

SCHEMBL2802593

NC(Cc1ccccc1)C(=O)Nc1ccc(-c2ccncc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.64
ROCK1 Q13464 8/20 0.64
AAK1 Q2M2I8 1/20 0.64
GPR142 Q7Z601 2/20 0.63
AKT1 P31749 1/20 0.61
CIT O14578 1/20 0.60
BACE1 P56817 2/20 0.55
RPS6KA5 O75582 1/20 0.53
RPS6KA4 O75676 1/20 0.53
PRKACA P17612 1/20 0.53
MAPK1 P28482 1/20 0.53
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53
IRAK1 P51617 1/20 0.53
PRKX P51817 1/20 0.53
PRKG1 Q13976 1/20 0.53
PKN2 Q16513 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
SGK2 Q9HBY8 1/20 0.53
TAAR1 Q96RJ0 1/20 0.51

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
SCHEMBL10260826 1.00 ROCK2 (0.64) ROCK2ROCK1AAK1GPR142AKT1
SCHEMBL2802584 1.00 ROCK2 (0.64) ROCK2ROCK1AAK1GPR142AKT1
Hydrochloric Acid SCHEMBL4525075 0.99 ROCK2 (0.62) ROCK2ROCK1AAK1GPR142AKT1
SCHEMBL9590958 0.92 AKT1 (0.66) ROCK2ROCK1AAK1GPR142AKT1
SCHEMBL4529357 0.88 AAK1 (0.62) ROCK2ROCK1AAK1GPR142CIT
SCHEMBL2684698 0.87 GPR142 (0.61) ROCK2ROCK1AAK1GPR142AKT1
SCHEMBL2684701 0.87 GPR142 (0.61) ROCK2ROCK1AAK1GPR142AKT1
SCHEMBL27744399 0.87 AAK1 (0.61) ROCK2ROCK1AAK1GPR142AKT1
SCHEMBL4533616 0.87 AAK1 (0.61) ROCK2ROCK1AAK1GPR142AKT1
SCHEMBL4530047 0.87 ROCK2 (0.69) ROCK2ROCK1AAK1GPR142AKT1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130005756-A1 METHOD FOR TREATING PULMONARY DISEASES USING RHO KINASE INHIBITOR COMPOUNDS NAVRATIL TOMAS (US) 2013-01-03 US disclosed
US-8299096-B2 Method for treating pulmonary diseases using rho kinase inhibitor compounds INSPIRE PHARMACEUTICALS, INC. (US) 2012-10-30 US disclosed
US-20100204210-A1 METHOD FOR TREATING PULMONARY DISEASES USING RHO KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. 2010-08-12 US disclosed
US-20090325958-A1 METHOD FOR TREATING PULMONARY DISEASES USING RHO KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. 2009-12-31 US disclosed
CN-101253152-A Amide derivatives as ROCK inhibitors ASTELLAS PHARMA INC (JP) 2008-08-27 CN 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 (3 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-20090325958-A1 METHOD FOR TREATING PULMONARY DISEASES USING RHO KINASE INHIBITOR COMPOUNDS ROCK1, RHOA, ROCK2 ROCK2 3/4885ROCK1 1/4885AAK1 118/4885
US-20100204210-A1 METHOD FOR TREATING PULMONARY DISEASES USING RHO KINASE INHIBITOR COMPOUNDS ROCK1, RHOA, SERPINB1 ROCK2 4/4885ROCK1 1/4885AAK1 91/4885
US-20130005756-A1 METHOD FOR TREATING PULMONARY DISEASES USING RHO KINASE INHIBITOR COMPOUNDS ROCK1, RHOA, ROCK2 ROCK2 3/4885ROCK1 1/4885AAK1 118/4885

“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.