SCHEMBL4259434

SCHEMBL4259434

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(N4C(=O)CCC4(C)C)c(C(F)(F)F)c3)cc2)cc[n+]1[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.54
RAF1 P04049 8/20 0.44
SRC P12931 6/20 0.43
ABL1 P00519 6/20 0.43
RET P07949 3/20 0.43
EPHA2 P29317 3/20 0.43
MAPK14 Q16539 3/20 0.43
MAP3K20 Q9NYL2 3/20 0.43
BRAF P15056 3/20 0.43
AURKB Q96GD4 3/20 0.43
EPHX2 P34913 3/20 0.43
RIPK2 O43353 2/20 0.43
ABCB11 O95342 2/20 0.43
HTR1A P08908 2/20 0.43
PDGFRB P09619 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
KIT P10721 2/20 0.43
FGFR1 P11362 2/20 0.43
PDGFRA P16234 2/20 0.43
FLT1 P17948 2/20 0.43

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
SCHEMBL2335720 0.83 RAF1 (0.64) KDRRAF1SRCABL1RET
SCHEMBL4257254 0.80 KDR (0.54) KDRRAF1SRCABL1RET
SCHEMBL4258987 0.80 KDR (0.61) KDRRAF1SRCABL1RET
SCHEMBL4264139 0.80 KDR (0.79) KDRRAF1SRCABL1RET
SCHEMBL29733289 0.80 RAF1 (0.67) KDRRAF1SRCABL1RET
SCHEMBL549118 0.80 RAF1 (0.65) KDRRAF1SRCABL1RET
SCHEMBL548256 0.80 RAF1 (0.67) KDRRAF1SRCABL1RET
SCHEMBL29746661 0.75 KDR (0.68) KDRRAF1SRCABL1RET
SCHEMBL15114776 0.75 KDR (0.68) KDRRAF1SRCABL1RET
SCHEMBL4254860 0.75 KDR (0.69) KDRRAF1SRCABL1RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124633-A1 N-OXIDES OF HETEROCYCLIC SUBSTITUTED BISARYLUREAS FOR TREATING KINASE-MEDIATED DISEASES MERCK PATENT GESELLSCHAFT (DE) 2009-05-14 US claimed
EP-2004631-A1 N-OXIDES OF HETEROCYCLIC SUBSTITUTED BISARYLUREAS FOR TREATING KINASE-MEDIATED DISEASES Merck Patent GmbH (DE) 2008-12-24 EP claimed
WO-2007115670-A1 N-OXIDES OF HETEROCYCLIC SUBSTITUTED BISARYLUREAS FOR TREATING KINASE-MEDIATED DISEASES MERCK PATENT GMBH (DE) 2007-10-18 WO claimed
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
WO-2007115670-A1 N-OXIDES OF HETEROCYCLIC SUBSTITUTED BISARYLUREAS FOR TREATING KINASE-MEDIATED DISEASES MERCK PATENT GMBH (DE) 2007-10-18 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-20090124633-A1 N-OXIDES OF HETEROCYCLIC SUBSTITUTED BISARYLUREAS FOR TREATING KINASE-MEDIATED DISEASES ABL1, NME2, MAP3K1 KDR 993/4885RAF1 49/4885SRC 216/4885

“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.