SCHEMBL2879731

SCHEMBL2879731

Nc1nc(Nc2ccc(Oc3cccc4[nH]ncc34)c(F)c2)cc(-c2ccncc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 17/20 1.00
ROCK1 Q13464 1/20 0.71
CYP3A4 P08684 2/20 0.65
AGPAT2 O15120 2/20 0.43

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
SCHEMBL10036320 0.85 ROCK2 (1.00) ROCK2ROCK1CYP3A4
SCHEMBL8320434 0.83 ROCK1 (0.87) ROCK2ROCK1CYP3A4AGPAT2
SCHEMBL2880011 0.83 ROCK1 (1.00) ROCK2ROCK1CYP3A4AGPAT2
SCHEMBL2876683 0.83 ROCK2 (0.76) ROCK2ROCK1CYP3A4
SCHEMBL2880092 0.81 ROCK2 (0.73) ROCK2ROCK1CYP3A4
SCHEMBL10036322 0.81 ROCK2 (0.91) ROCK2ROCK1CYP3A4AGPAT2
SCHEMBL2880069 0.79 ROCK2 (1.00) ROCK2ROCK1CYP3A4
SCHEMBL5258702 0.79 ROCK2 (0.86) ROCK2ROCK1CYP3A4
SCHEMBL2881306 0.77 ROCK2 (0.67) ROCK2ROCK1CYP3A4AGPAT2
SCHEMBL8328328 0.77 ROCK1 (0.85) ROCK2ROCK1CYP3A4AGPAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737153-B2 Heteroaryloxy-substituted phenylaminopyrimidines as rho-kinase inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-15 US disclosed
US-7737153-B2 Heteroaryloxy-substituted phenylaminopyrimidines as rho-kinase inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-15 US disclosed
US-7737153-B2 Heteroaryloxy-substituted phenylaminopyrimidines as rho-kinase inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-15 US disclosed
US-20060241127-A1 Heteroaryloxy-substituted phenylaminopyrimidines as rho-kinase inhibitors BAYER HEALTHCARE AG (DE) 2006-10-26 US disclosed
EP-1562935-B1 HETEROARYLOXY-SUBSTITUTED PHENYLAMINOPYRIMIDINES AS RHO-KINASE INHIBITORS BAYER HEALTHCARE AG (DE) 2006-09-06 EP disclosed
WO-2004039796-A1 HETEROARYLOXY-SUBSTITUTED PHENYLAMINOPYRIMIDINES AS RHO-KINASE INHIBITORS BAYER HEALTHCARE AG (DE) 2004-05-13 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-20060241127-A1 Heteroaryloxy-substituted phenylaminopyrimidines as rho-kinase inhibitors ROCK1, ROCK2, RHOA ROCK2 2/4885ROCK1 1/4885CYP3A4 2229/4885

“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.