SCHEMBL2881920

SCHEMBL2881920

Nc1nc(N)c(-c2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c(CN2CCCCC2)n1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.54
CYP3A4 P08684 1/20 0.47
MET P08581 9/20 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
SCHEMBL2881664 0.84 ROCK2 (0.49) ROCK2CYP3A4MET
SCHEMBL2876385 0.80 ROCK2 (0.60) ROCK2CYP3A4MET
SCHEMBL2881483 0.80 ROCK2 (0.62) ROCK2CYP3A4MET
SCHEMBL2881330 0.79 ROCK2 (0.53) ROCK2CYP3A4MET
SCHEMBL8321699 0.78 ROCK2 (0.73) ROCK2CYP3A4MET
SCHEMBL2884432 0.76 ROCK2 (0.54) ROCK2CYP3A4MET
SCHEMBL2876315 0.75 ROCK2 (0.65) ROCK2CYP3A4MET
SCHEMBL2876956 0.75 ROCK2 (0.49) ROCK2CYP3A4MET
SCHEMBL2876898 0.74 ROCK2 (0.61) ROCK2CYP3A4MET
SCHEMBL14028162 0.70 MET (0.70) ROCK2MET

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 3 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-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

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 2/4885CYP3A4 2229/4885MET 1035/4885

“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.