SCHEMBL4258706

SCHEMBL4258706

Nc1c2c(=O)ccn(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4-n4cccn4)cc3)c2nc[n+]1[O-]

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 9/20 0.47
IDH2 P48735 1/20 0.46
KDR P35968 6/20 0.43
BRAF P15056 2/20 0.38
RIPK1 Q13546 2/20 0.36
KIT P10721 3/20 0.36
FLT3 P36888 3/20 0.36
ABL1 P00519 2/20 0.36
LCK P06239 2/20 0.36
FYN P06241 2/20 0.36
CSF1R P07333 2/20 0.36
LYN P07948 2/20 0.36
SRC P12931 2/20 0.36
FLT1 P17948 2/20 0.36
FLT4 P35916 2/20 0.36
BLK P51451 2/20 0.36

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
SCHEMBL4260680 0.91 KDR (0.52) NTRK1IDH2KDRBRAFRIPK1
SCHEMBL4256796 0.89 ALDH1A1 (0.44) NTRK1KDRBRAF
SCHEMBL4260696 0.88 NTRK1 (0.49) NTRK1IDH2KDRRIPK1KIT
SCHEMBL4259140 0.87 ALDH1A1 (0.49) NTRK1IDH2KDRBRAFRIPK1
SCHEMBL4259437 0.87 KDR (0.41) NTRK1IDH2KDRBRAFRIPK1
SCHEMBL2337959 0.86 NTRK1 (0.51) NTRK1IDH2KDRRIPK1KIT
SCHEMBL4259334 0.79 IDH2 (0.50) NTRK1IDH2KDRRIPK1KIT
SCHEMBL4259330 0.79 KDR (0.52) NTRK1IDH2KDRRIPK1KIT
SCHEMBL4259427 0.77 ALDH1A1 (0.44) NTRK1KDRRIPK1KITFLT3
SCHEMBL2333899 0.77 NTRK1 (0.51) NTRK1KDRRIPK1KITFLT3

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 6 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
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 (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 NTRK1 828/4885IDH2 481/4885KDR 993/4885

“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.