SCHEMBL4265079

SCHEMBL4265079

COC(=O)Nc1[nH]c2ccc(Oc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4-n4ccnn4)cc3)cc2[n+]1[O-]

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.63
TEK Q02763 15/20 0.52
RAF1 P04049 1/20 0.52
NTRK1 P04629 2/20 0.49

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
SCHEMBL4252293 0.94 KDR (0.63) KDRTEKRAF1NTRK1
SCHEMBL4253632 0.91 KDR (0.52) KDRTEKRAF1NTRK1
SCHEMBL4261788 0.89 KDR (0.54) KDRTEKRAF1
SCHEMBL4260332 0.89 KDR (0.52) KDRTEKRAF1
SCHEMBL4257462 0.88 KDR (0.52) KDRTEKRAF1
SCHEMBL4264154 0.85 KDR (0.54) KDRTEKRAF1NTRK1
SCHEMBL2339137 0.85 KDR (0.65) KDRTEKRAF1
SCHEMBL4255260 0.83 KDR (0.56) KDRTEKRAF1
SCHEMBL4258888 0.83 KDR (0.54) KDRTEKRAF1
SCHEMBL4258022 0.82 KDR (0.54) KDRTEKRAF1

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 5 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
US-8669274-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-03-11 US disclosed
WO-2012082746-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-06-21 WO disclosed
US-20120149729-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-06-14 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

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 KDR 993/4885TEK 1258/4885RAF1 49/4885
US-20120149729-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO KDR 4644/4885TEK 2626/4885RAF1 3735/4885

“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.