SCHEMBL4255250

SCHEMBL4255250

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3-n3ccnc3)cc2)cc[n+]1[O-]

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.78
ALDH1A1 P00352 1/20 0.52
RAF1 P04049 10/20 0.52
MAPK14 Q16539 3/20 0.47
TNNI3K Q59H18 3/20 0.47
PLK4 O00444 2/20 0.47
AURKA O14965 2/20 0.47
MAPK13 O15264 2/20 0.47
MAP4K4 O95819 2/20 0.47
ABL1 P00519 2/20 0.47
LCK P06239 2/20 0.47
FYN P06241 2/20 0.47
LYN P07948 2/20 0.47
RET P07949 2/20 0.47
SRC P12931 2/20 0.47
RPS6KB1 P23443 2/20 0.47
EPHA2 P29317 2/20 0.47
AXL P30530 2/20 0.47
FRK P42685 2/20 0.47
MAPK9 P45984 2/20 0.47

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
SCHEMBL4256704 0.93 KDR (0.68) KDRALDH1A1RAF1MAPK14AURKA
SCHEMBL14396884 0.92 KDR (0.66) KDRALDH1A1RAF1MAPK14TNNI3K
SCHEMBL4258983 0.91 KDR (0.79) KDRRAF1MAPK14TNNI3KPLK4
SCHEMBL4253263 0.88 ALDH1A1 (0.59) KDRALDH1A1RAF1MAPK14TNNI3K
SCHEMBL4256173 0.88 KDR (0.78) KDRALDH1A1RAF1MAPK14TNNI3K
SCHEMBL4253679 0.88 KDR (1.00) KDRRAF1MAPK14TNNI3KPLK4
SCHEMBL4262631 0.87 KDR (0.82) KDRRAF1MAPK14TNNI3KPLK4
SCHEMBL4258982 0.86 KDR (0.76) KDRALDH1A1RAF1MAPK14TNNI3K
SCHEMBL14397094 0.85 KDR (0.57) KDRALDH1A1RAF1MAPK14TNNI3K
SCHEMBL2335476 0.85 RAF1 (0.72) KDRALDH1A1RAF1MAPK14TNNI3K

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-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
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 993/4885ALDH1A1 2311/4885RAF1 49/4885

“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.