SCHEMBL4253679

SCHEMBL4253679

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3-n3ccnn3)cc2)cc[n+]1[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 1.00
NTRK1 P04629 4/20 0.52
RAF1 P04049 8/20 0.50
PLK4 O00444 1/20 0.46
AURKA O14965 1/20 0.46
MAPK13 O15264 1/20 0.46
JAK2 O60674 1/20 0.46
MAP4K4 O95819 1/20 0.46
ABL1 P00519 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
LYN P07948 1/20 0.46
RET P07949 1/20 0.46
ROS1 P08922 1/20 0.46
SRC P12931 1/20 0.46
RPS6KB1 P23443 1/20 0.46
EPHA2 P29317 1/20 0.46
TYK2 P29597 1/20 0.46
AXL P30530 1/20 0.46
FRK P42685 1/20 0.46

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
SCHEMBL4264168 0.92 KDR (0.86) KDRNTRK1RAF1AURKAABL1
SCHEMBL4262631 0.90 KDR (0.82) KDRNTRK1RAF1PLK4AURKA
SCHEMBL4264139 0.88 KDR (0.79) KDRNTRK1RAF1PLK4AURKA
SCHEMBL4258983 0.88 KDR (0.79) KDRRAF1PLK4AURKAMAPK13
SCHEMBL4260334 0.88 KDR (0.78) KDRNTRK1RAF1MAPK14TNNI3K
SCHEMBL4255250 0.88 KDR (0.78) KDRNTRK1RAF1PLK4AURKA
SCHEMBL4256173 0.88 KDR (0.78) KDRNTRK1RAF1PLK4AURKA
SCHEMBL4258982 0.86 KDR (0.76) KDRNTRK1RAF1PLK4AURKA
SCHEMBL2333147 0.84 KDR (0.73) KDRNTRK1RAF1PLK4AURKA
SCHEMBL9945346 0.84 KDR (0.73) KDRNTRK1RAF1PLK4AURKA

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 10 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-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

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 828/4885RAF1 49/4885
US-20120149729-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO KDR 4644/4885NTRK1 3659/4885RAF1 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.