SCHEMBL4264168

SCHEMBL4264168

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3-n3ccnn3)c(F)c2)cc[n+]1[O-]

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.86
NTRK1 P04629 2/20 0.48
BRAF P15056 15/20 0.43
ABL1 P00519 2/20 0.42
RAF1 P04049 2/20 0.42
PDGFRB P09619 2/20 0.42
KIT P10721 2/20 0.42
PDGFRA P16234 2/20 0.42
FLT1 P17948 2/20 0.42
TEK Q02763 2/20 0.42
RIPK2 O43353 1/20 0.42
ABCB11 O95342 1/20 0.42
NR3C1 P04150 1/20 0.42
RET P07949 1/20 0.42
HTR1A P08908 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
BCR P11274 1/20 0.42
FGFR1 P11362 1/20 0.42
RARG P13631 1/20 0.42

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
SCHEMBL4253679 0.92 KDR (1.00) KDRNTRK1BRAFABL1RAF1
SCHEMBL4258251 0.90 KDR (0.70) KDRNTRK1BRAFABL1RAF1
SCHEMBL4255951 0.88 KDR (0.67) KDRBRAFABL1RAF1PDGFRB
SCHEMBL4257264 0.88 KDR (0.67) KDRBRAFABL1RAF1PDGFRB
SCHEMBL4256704 0.87 KDR (0.68) KDRBRAFABL1RAF1PDGFRB
SCHEMBL2331019 0.84 KDR (0.61) KDRNTRK1BRAFABL1RAF1
SCHEMBL4262631 0.82 KDR (0.82) KDRNTRK1BRAFABL1RAF1
SCHEMBL14397070 0.82 KDR (0.59) KDRNTRK1BRAFABL1RAF1
SCHEMBL4264139 0.80 KDR (0.79) KDRNTRK1BRAFABL1RAF1
SCHEMBL4258983 0.80 KDR (0.79) KDRABL1RAF1TEKRET

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 9 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
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 (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 993/4885NTRK1 828/4885BRAF 39/4885
US-20120149729-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO KDR 4644/4885NTRK1 3659/4885BRAF 2576/4885

“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.