SCHEMBL2880090

SCHEMBL2880090

Cc1n[nH]c2cccc(Oc3ccc(N)cc3F)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.39
ROCK2 O75116 1/20 0.38
MAPK8 P45983 3/20 0.38
KDR P35968 7/20 0.37
LCK P06239 4/20 0.37
CSF1R P07333 4/20 0.37
FLT1 P17948 4/20 0.37
CDK5 Q00535 2/20 0.37
ROCK1 Q13464 2/20 0.37
CLK4 Q9HAZ1 2/20 0.37
MAPK14 Q16539 2/20 0.37
DAPK3 O43293 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
PAK4 O96013 1/20 0.37
ABL1 P00519 1/20 0.37
NTRK1 P04629 1/20 0.37
RET P07949 1/20 0.37
IGF1R P08069 1/20 0.37
MET P08581 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
SCHEMBL2881750 0.80 HSPB1 (0.48) TRPA1MEN1KMT2A
SCHEMBL2877152 0.74 ROCK2 (0.54) TRPA1ROCK2ROCK1MAPK14BRD4
SCHEMBL2876683 0.73 ROCK2 (0.76) ROCK2ROCK1
SCHEMBL30059265 0.72 MEN1 (0.40) TRPA1MAPK14MAP4K4KITBRD4
SCHEMBL25968454 0.72 MEN1 (0.40) TRPA1MAPK14MAP4K4KITBRD4
SCHEMBL1583991 0.71 AR (0.42) TRPA1TNK2BRD4MEN1KMT2A
SCHEMBL2880026 0.71 GAA (0.55) ROCK2MAPK8KDRLCKCSF1R
SCHEMBL1960297 0.71 HTR2A (0.51) MAPK8MEN1KMT2A
SCHEMBL15821714 0.70 MEN1 (0.54) TRPA1MAP4K4MEN1KMT2A
SCHEMBL32683983 0.70 CYP1A2 (0.43) ROCK2MAPK8KDRLCKCSF1R

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 4704/4885ROCK2 2/4885MAPK8 417/4885

“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.