SCHEMBL4252292

SCHEMBL4252292

Nc1nc[n+]([O-])c2c1c(=O)ccn2-c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2-n2cnnc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.41
NTRK1 P04629 4/20 0.39
ALDH1A1 P00352 1/20 0.39
FLT1 P17948 6/20 0.38
TEK Q02763 5/20 0.38
KIT P10721 5/20 0.38
CSF1R P07333 4/20 0.38
FLT4 P35916 4/20 0.38
FLT3 P36888 4/20 0.38
GSK3B P49841 3/20 0.38
RIPK1 Q13546 3/20 0.38
AURKA O14965 3/20 0.38
LCK P06239 3/20 0.38
FGFR1 P11362 3/20 0.38
FGFR3 P22607 3/20 0.38
GSK3A P49840 2/20 0.38
RET P07949 2/20 0.38
PDGFRB P09619 2/20 0.38
PDGFRA P16234 2/20 0.38
SRC P12931 2/20 0.38

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
SCHEMBL4262308 0.92 ALDH1A1 (0.49) KDRNTRK1ALDH1A1FLT1TEK
SCHEMBL4259330 0.90 KDR (0.52) KDRNTRK1FLT1TEKKIT
SCHEMBL4259427 0.88 ALDH1A1 (0.44) KDRNTRK1ALDH1A1FLT1TEK
SCHEMBL4259437 0.88 KDR (0.41) KDRNTRK1ALDH1A1FLT1TEK
SCHEMBL4260696 0.87 NTRK1 (0.49) KDRNTRK1FLT1TEKKIT
SCHEMBL2336170 0.84 RET (0.48) KDRNTRK1ALDH1A1FLT1TEK
SCHEMBL4259140 0.80 ALDH1A1 (0.49) KDRNTRK1ALDH1A1FLT1KIT
SCHEMBL4260680 0.78 KDR (0.52) KDRNTRK1FLT1KITCSF1R
SCHEMBL2333052 0.77 ALDH1A1 (0.51) KDRNTRK1ALDH1A1FLT1TEK
SCHEMBL4256796 0.76 ALDH1A1 (0.44) KDRNTRK1ALDH1A1RET

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 993/4885NTRK1 828/4885ALDH1A1 2311/4885

“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.