SCHEMBL4259140

SCHEMBL4259140

Nc1c2c(=O)ccn(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4-n4ccnc4)cc3)c2nc[n+]1[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
IDH2 P48735 4/20 0.46
KDR P35968 7/20 0.40
CD38 P28907 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BRAF P15056 1/20 0.38
NTRK1 P04629 3/20 0.37
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
KIT P10721 2/20 0.36
SRC P12931 2/20 0.36
FLT1 P17948 2/20 0.36
FLT4 P35916 2/20 0.36
FLT3 P36888 2/20 0.36
BLK P51451 2/20 0.36
AURKA O14965 2/20 0.35

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
SCHEMBL4259437 0.92 KDR (0.41) ALDH1A1IDH2KDRBRAFNTRK1
SCHEMBL4260680 0.89 KDR (0.52) IDH2KDRBRAFNTRK1ABL1
SCHEMBL4256796 0.88 ALDH1A1 (0.44) ALDH1A1KDRMEN1KMT2ABRAF
SCHEMBL4262308 0.88 ALDH1A1 (0.49) ALDH1A1IDH2KDRCD38MEN1
SCHEMBL4258706 0.87 NTRK1 (0.47) IDH2KDRBRAFNTRK1ABL1
SCHEMBL2333052 0.86 ALDH1A1 (0.51) ALDH1A1IDH2KDRCD38MEN1
SCHEMBL4252292 0.80 KDR (0.41) ALDH1A1IDH2KDRNTRK1ABL1
SCHEMBL2336170 0.78 RET (0.48) ALDH1A1KDRNTRK1ABL1LCK
SCHEMBL4259330 0.77 KDR (0.52) IDH2KDRNTRK1ABL1LCK
SCHEMBL4259427 0.77 ALDH1A1 (0.44) ALDH1A1KDRNTRK1ABL1LCK

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 ALDH1A1 2311/4885IDH2 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.