SCHEMBL2881650

SCHEMBL2881650

Nc1ncc(-c2ccc(Oc3ccc4[nH]ncc4c3)c(F)c2)c(N)n1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.52
MAPKAPK2 P49137 2/20 0.47
TRPA1 O75762 5/20 0.44
DHFR P00374 3/20 0.43
TGFBR1 P36897 2/20 0.39
USP7 Q93009 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
MIF P14174 1/20 0.39
MAOB P27338 1/20 0.38

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
SCHEMBL2884889 0.86 ROCK1 (0.56) ROCK1MAPKAPK2TRPA1USP7MIF
SCHEMBL2068939 0.81 MAPKAPK2 (0.65) ROCK1MAPKAPK2TRPA1DHFRUSP7
SCHEMBL2876364 0.79 ROCK1 (0.58) ROCK1TRPA1MAOB
SCHEMBL2882175 0.77 ROCK1 (0.50) ROCK1TRPA1
SCHEMBL5043115 0.76 ROCK1 (0.52) ROCK1TRPA1
SCHEMBL8320486 0.74 ROCK1 (0.71) ROCK1MAPKAPK2
SCHEMBL1388354 0.74 DHFR (0.68) DHFR
SCHEMBL2745386 0.74 DHFR (0.59) MAPKAPK2DHFRUSP7
Hydrochloric Acid SCHEMBL4478858 0.72 DHFR (0.57) MAPKAPK2DHFRUSP7
Hydrochloric Acid SCHEMBL29430410 0.72 DHFR (0.57) MAPKAPK2DHFRUSP7

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 ROCK1 1/4885MAPKAPK2 40/4885TRPA1 4704/4885

“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.