SCHEMBL4258022

SCHEMBL4258022

COC(=O)Nc1[nH]c2cc(Oc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4-n4cncn4)cc3)ccc2[n+]1[O-]

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.54
TEK Q02763 16/20 0.54
RAF1 P04049 1/20 0.54
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 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
SCHEMBL4257462 0.94 KDR (0.52) KDRTEKRAF1KDM4EALDH1A1
SCHEMBL4264154 0.89 KDR (0.54) KDRTEKRAF1
SCHEMBL4255260 0.88 KDR (0.56) KDRTEKRAF1
SCHEMBL4252293 0.88 KDR (0.63) KDRTEKRAF1
SCHEMBL4258888 0.88 KDR (0.54) KDRTEKRAF1ALDH1A1
SCHEMBL2338027 0.83 TEK (0.64) KDRTEKRAF1
SCHEMBL4253632 0.83 KDR (0.52) KDRTEKRAF1
SCHEMBL4261788 0.83 KDR (0.54) KDRTEKRAF1
SCHEMBL4265079 0.82 KDR (0.63) KDRTEKRAF1
SCHEMBL4260332 0.82 KDR (0.52) KDRTEKRAF1ALDH1A1

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 4 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

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 993/4885TEK 1258/4885RAF1 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.