SCHEMBL2877152

SCHEMBL2877152

Nc1ccc(Oc2cccc3[nH]ncc23)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.54
TRPA1 O75762 1/20 0.47
RAF1 P04049 4/20 0.42
BRAF P15056 4/20 0.42
AXL P30530 2/20 0.40
MAPK14 Q16539 1/20 0.40
NOS1 P29475 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
ROCK1 Q13464 1/20 0.40
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL23536668 0.84 ROCK2 (0.49) ROCK2TRPA1RAF1BRAFAXL
SCHEMBL3484118 0.84 NOS1 (0.50) ROCK2RAF1BRAFAXLNOS1
SCHEMBL28199257 0.81 NOS1 (0.57) ROCK2AXLNOS1HTTHPGD
SCHEMBL2876576 0.79 HSPB1 (0.50) ROCK2TRPA1RAF1BRAFNOS1
SCHEMBL14705753 0.77 FLT3 (0.50) ROCK2RAF1BRAFAXLMAPK14
SCHEMBL5257975 0.74 ROCK2 (0.59) ROCK2TRPA1BRAFMAPK14MEN1
SCHEMBL15084627 0.74 TRPA1 (0.48) ROCK2TRPA1MAPK14MEN1KMT2A
SCHEMBL10036335 0.74 PLAU (0.46) ROCK2TRPA1MAPK14MEN1KMT2A
SCHEMBL2880090 0.74 TRPA1 (0.39) ROCK2TRPA1MAPK14MEN1KMT2A
SCHEMBL30059265 0.73 MEN1 (0.40) TRPA1AXLMAPK14MEN1KMT2A

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 7 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
EP-1562935-A1 HETEROARYLOXY-SUBSTITUTED PHENYLAMINOPYRIMIDINES AS RHO-KINASE INHIBITORS Bayer HealthCare AG (DE) 2005-08-17 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 2/4885TRPA1 4704/4885RAF1 319/4885

“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.