SCHEMBL2335720

SCHEMBL2335720

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(N4C(=O)CCC4(C)C)c(C(F)(F)F)c3)cc2)ccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 15/20 0.64
KDR P35968 5/20 0.64
RET P07949 4/20 0.64
BRAF P15056 4/20 0.64
SRC P12931 3/20 0.64
ABL1 P00519 3/20 0.64
EPHA2 P29317 3/20 0.64
MAPK14 Q16539 3/20 0.64
MAP3K20 Q9NYL2 3/20 0.64
EPHX2 P34913 3/20 0.64
AURKB Q96GD4 3/20 0.64
RIPK2 O43353 2/20 0.64
ABCB11 O95342 2/20 0.64
HTR1A P08908 2/20 0.64
PDGFRB P09619 2/20 0.64
ADORA3 P0DMS8 2/20 0.64
KIT P10721 2/20 0.64
FGFR1 P11362 2/20 0.64
PDGFRA P16234 2/20 0.64
FLT1 P17948 2/20 0.64

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
SCHEMBL2339695 0.87 RAF1 (0.70) RAF1KDRRETBRAFSRC
SCHEMBL4259434 0.83 KDR (0.54) RAF1KDRRETBRAFSRC
SCHEMBL19878475 0.81 RAF1 (0.80) RAF1KDRRETBRAFSRC
SCHEMBL1532269 0.81 RAF1 (0.79) RAF1KDRRETBRAFSRC
SCHEMBL2334810 0.80 RAF1 (0.70) RAF1KDRRETBRAFSRC
SCHEMBL2329818 0.80 RAF1 (0.65) RAF1KDRRETBRAFSRC
SCHEMBL2330927 0.80 RAF1 (0.64) RAF1KDRRETBRAFSRC
SCHEMBL13885368 0.80 RAF1 (0.80) RAF1KDRRETBRAFSRC
SCHEMBL5568327 0.80 RAF1 (0.80) RAF1KDRRETBRAFSRC
SCHEMBL12627756 0.79 RAF1 (0.66) RAF1KDRRETBRAFSRC

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003657-B2 Heterocyclic substituted bisarylurea derivatives MERCK PATENT GMBH (DE) 2011-08-23 US claimed
US-20090215799-A1 HETEROCYCLIC SUBSTITUTED BISARYLUREA DERIVATIVES MERCK PATENT GMBH 2009-08-27 US claimed
EP-1799669-A1 HETEROCYCLIC SUBSTITUTED BISARYLUREA DERIVATIVES AS KINASE INHIBITORS Merck Patent GmbH (DE) 2007-06-27 EP claimed
WO-2006040056-A1 HETEROCYCLIC SUBSTITUTED BISARYLUREA DERIVATIVES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2006-04-20 WO claimed
US-8003657-B2 Heterocyclic substituted bisarylurea derivatives MERCK PATENT GMBH (DE) 2011-08-23 US disclosed
US-8003657-B2 Heterocyclic substituted bisarylurea derivatives MERCK PATENT GMBH (DE) 2011-08-23 US disclosed
US-8003657-B2 Heterocyclic substituted bisarylurea derivatives MERCK PATENT GMBH (DE) 2011-08-23 US disclosed
US-20090215799-A1 HETEROCYCLIC SUBSTITUTED BISARYLUREA DERIVATIVES MERCK PATENT GMBH 2009-08-27 US disclosed
US-20090215799-A1 HETEROCYCLIC SUBSTITUTED BISARYLUREA DERIVATIVES MERCK PATENT GMBH 2009-08-27 US disclosed
US-20090215799-A1 HETEROCYCLIC SUBSTITUTED BISARYLUREA DERIVATIVES MERCK PATENT GMBH 2009-08-27 US disclosed
US-20090124633-A1 N-OXIDES OF HETEROCYCLIC SUBSTITUTED BISARYLUREAS FOR TREATING KINASE-MEDIATED DISEASES MERCK PATENT GESELLSCHAFT (DE) 2009-05-14 US disclosed
EP-2004631-A1 N-OXIDES OF HETEROCYCLIC SUBSTITUTED BISARYLUREAS FOR TREATING KINASE-MEDIATED DISEASES Merck Patent GmbH (DE) 2008-12-24 EP disclosed
WO-2007115670-A1 N-OXIDES OF HETEROCYCLIC SUBSTITUTED BISARYLUREAS FOR TREATING KINASE-MEDIATED DISEASES MERCK PATENT GMBH (DE) 2007-10-18 WO disclosed
EP-1799669-A1 HETEROCYCLIC SUBSTITUTED BISARYLUREA DERIVATIVES AS KINASE INHIBITORS Merck Patent GmbH (DE) 2007-06-27 EP disclosed
WO-2006040056-A1 HETEROCYCLIC SUBSTITUTED BISARYLUREA DERIVATIVES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2006-04-20 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-20090124633-A1 N-OXIDES OF HETEROCYCLIC SUBSTITUTED BISARYLUREAS FOR TREATING KINASE-MEDIATED DISEASES ABL1, NME2, MAP3K1 RAF1 49/4885KDR 993/4885RET 160/4885
US-20090215799-A1 HETEROCYCLIC SUBSTITUTED BISARYLUREA DERIVATIVES ABL1, BTK, PRKACA RAF1 23/4885KDR 967/4885RET 253/4885

“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.