SCHEMBL2881533

SCHEMBL2881533

Nc1ccc(Oc2cccc3occc23)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.49
KCNA3 P22001 1/20 0.40
AXL P30530 1/20 0.35
DRD1 P21728 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ROCK2 O75116 1/20 0.33
RHEB Q15382 1/20 0.33
MAPK14 Q16539 2/20 0.32
BRD4 O60885 1/20 0.32
FADS1 O60427 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSPB1 P04792 1/20 0.31

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
SCHEMBL3484014 0.83 KCNA3 (0.40) TRPA1KCNA3DRD1MEN1KMT2A
SCHEMBL2876994 0.78 HSPB1 (0.52) TRPA1KCNA3MEN1KMT2AALDH1A1
SCHEMBL10036335 0.76 PLAU (0.46) TRPA1MEN1KMT2AROCK2RHEB
SCHEMBL15084627 0.76 TRPA1 (0.48) TRPA1MEN1KMT2AROCK2RHEB
SCHEMBL30059265 0.76 MEN1 (0.40) TRPA1AXLMEN1KMT2AMAPK14
SCHEMBL25968454 0.76 MEN1 (0.40) TRPA1AXLMEN1KMT2AMAPK14
SCHEMBL15821714 0.74 MEN1 (0.54) TRPA1MEN1KMT2ARHEBKDM4E
SCHEMBL2876990 0.72 KDR (0.47) ROCK2
SCHEMBL14026747 0.70 TRPA1 (0.39) TRPA1MEN1KMT2AROCK2MAPK14
SCHEMBL5257975 0.70 ROCK2 (0.59) TRPA1KCNA3MEN1KMT2AROCK2

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 8 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
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 TRPA1 4704/4885KCNA3 4424/4885AXL 2231/4885

“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.