SCHEMBL4019746

SCHEMBL4019746

O=C(O)n1nc(-c2ccccc2Cl)c2cnc(Oc3ccc(F)cc3F)cc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 3/20 0.39
CHRM2 P08172 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
MAPK14 Q16539 2/20 0.39
FABP3 P05413 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HSPB1 P04792 1/20 0.37
DGAT2 Q96PD7 7/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36

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
SCHEMBL13769506 0.88 DGAT2 (0.41) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL13764836 0.80 MAPK14 (0.38) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL4015375 0.74 MAPK14 (0.40) MAPK14HSPB1MAPK13MAPK12MAPK11
SCHEMBL5106338 0.71 PDE10A (0.48) MAPK14MAPK11
SCHEMBL4475894 0.70 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4472386 0.69 FABP3 (0.41) MAPK14FABP3KDM4EDGAT2MAPK11
SCHEMBL13764824 0.69 TRPA1 (0.38) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL4015729 0.67 HSPB1 (0.38) CHRM4CHRM2CHRM5CHRM1CHRM3
SCHEMBL4059395 0.67 DGAT2 (0.45) DGAT2
SCHEMBL4013738 0.66 SCN4A (0.38) MAPK14FABP3MAPK13MAPK12MAPK11

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-7566708-B2 Substituted pyrazolo{3,4-D}pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-28 US disclosed
US-7452880-B2 Substituted pyrazolo [3,4-d] pyrimidines and methods of using the same F. HOFFMANN-LA ROCHE AG (CH) 2008-11-18 US disclosed
EP-1919470-A1 FUSED PYRAZOLE AS p38 MAP KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-14 EP disclosed
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-08-30 US disclosed
WO-2007023105-A1 FUSED PYRAZOLE AS p38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 WO disclosed
EP-1720878-A1 HETEROARYL-FUSED PYRAZOLO DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-11-15 EP disclosed
US-20050203091-A1 Heteroaryl-fused pyrazolo derivatives and methods for using the same ROCHE PALO ALTO LLC 2005-09-15 US disclosed
WO-2005085248-A1 HETEROARYL-FUSED PYRAZOLO DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2005-09-15 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 (2 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-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same MAPKAPK2, MAPK1, MAP3K2 CHRM4 4615/4885CHRM2 4539/4885CHRM5 4668/4885
US-20050203091-A1 Heteroaryl-fused pyrazolo derivatives and methods for using the same MAP3K1, MAP3K21, MAP3K2 CHRM4 3542/4885CHRM2 1956/4885CHRM5 2936/4885

“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.