SCHEMBL2881732

SCHEMBL2881732

Nc1nc(N)c(-c2cc(F)c(Oc3ccnc4[nH]ccc34)c(F)c2)c(-c2ccncc2)n1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 0.53
CYP3A4 P08684 1/20 0.53
MAP4K1 Q92918 1/20 0.39
MET P08581 6/20 0.39
NUDT1 P36639 1/20 0.37

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
SCHEMBL2881600 0.92 ROCK2 (0.46) ROCK2CYP3A4MAP4K1MET
SCHEMBL2889746 0.79 ROCK2 (0.43) ROCK2CYP3A4METNUDT1
SCHEMBL8322745 0.77 ROCK2 (0.82) ROCK2CYP3A4MET
SCHEMBL2877126 0.76 ROCK2 (0.54) ROCK2CYP3A4MAP4K1METNUDT1
SCHEMBL2876385 0.74 ROCK2 (0.60) ROCK2CYP3A4MET
SCHEMBL2881549 0.72 ROCK2 (0.63) ROCK2CYP3A4MET
SCHEMBL22772301 0.71 MAP4K1 (0.49) ROCK2CYP3A4MAP4K1METNUDT1
SCHEMBL2881172 0.71 ROCK2 (0.80) ROCK2CYP3A4MAP4K1MET
SCHEMBL13295217 0.71 ROCK2 (0.80) ROCK2CYP3A4MAP4K1MET
SCHEMBL2876898 0.70 ROCK2 (0.61) ROCK2CYP3A4MET

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 2 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

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 2229/4885MAP4K1 43/4885

“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.