SCHEMBL2884889

SCHEMBL2884889

Nc1nc(N)c(-c2ccc(Oc3ccc4[nH]ncc4c3)c(F)c2)c(N)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 3/20 0.56
TRPA1 O75762 4/20 0.42
ROCK2 O75116 4/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
FGFR2 P21802 2/20 0.39
GSK3B P49841 3/20 0.38
PIM1 P11309 2/20 0.38
AURKB Q96GD4 2/20 0.38
JAK2 O60674 1/20 0.38
PAK4 O96013 1/20 0.38
KDR P35968 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
SCHEMBL2882175 0.87 ROCK1 (0.50) ROCK1TRPA1EPAS1
SCHEMBL2881650 0.86 ROCK1 (0.52) ROCK1TRPA1MAOBUSP7MAPKAPK2
SCHEMBL2876364 0.82 ROCK1 (0.58) ROCK1TRPA1ROCK2KDM4EMEN1
SCHEMBL5043115 0.79 ROCK1 (0.52) ROCK1TRPA1ROCK2KDM4EMEN1
SCHEMBL13288551 0.75 ROCK1 (0.75) ROCK1ROCK2KDRMAPKAPK2
SCHEMBL8328328 0.75 ROCK1 (0.85) ROCK1ROCK2KDRMAPKAPK2
SCHEMBL2876588 0.74 ROCK1 (0.73) ROCK1ROCK2GAAMAPTAURKB
SCHEMBL8320445 0.74 ROCK1 (0.73) ROCK1ROCK2KDRMAPKAPK2
SCHEMBL13288470 0.74 ROCK1 (0.82) ROCK1ROCK2MAPTHPGDRAB9A
SCHEMBL2883920 0.73 ROCK1 (0.85) ROCK1ROCK2MAPTHPGDKMT2A

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 5 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
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 ROCK1 1/4885TRPA1 4704/4885ROCK2 2/4885

“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.