SCHEMBL2336170

SCHEMBL2336170

Nc1ncnc2c1c(=O)ccn2-c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2-n2cnnc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.48
FLT1 P17948 11/20 0.45
TEK Q02763 9/20 0.45
KDR P35968 9/20 0.45
KIT P10721 6/20 0.45
FLT4 P35916 5/20 0.45
AURKA O14965 5/20 0.45
NTRK1 P04629 5/20 0.45
CSF1R P07333 4/20 0.45
GSK3B P49841 4/20 0.45
RIPK1 Q13546 4/20 0.45
LCK P06239 4/20 0.45
FGFR1 P11362 4/20 0.45
FLT3 P36888 4/20 0.45
GSK3A P49840 3/20 0.45
DYRK3 O43781 3/20 0.45
ROCK2 O75116 3/20 0.45
MAP4K4 O95819 3/20 0.45
CHEK2 O96017 3/20 0.45
CDK1 P06493 3/20 0.45

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
SCHEMBL2333052 0.92 ALDH1A1 (0.51) RETFLT1TEKKDRKIT
SCHEMBL2333899 0.89 NTRK1 (0.51) RETFLT1TEKKDRKIT
SCHEMBL2330266 0.88 ALDH1A1 (0.47) RETFLT1TEKKDRKIT
SCHEMBL3831528 0.87 RET (0.61) RETFLT1TEKKDRKIT
SCHEMBL2337959 0.86 NTRK1 (0.51) RETFLT1TEKKDRKIT
SCHEMBL3835826 0.86 KDR (0.51) RETFLT1TEKKDRKIT
SCHEMBL4259437 0.86 KDR (0.41) RETFLT1TEKKDRKIT
SCHEMBL3829680 0.84 RET (0.50) RETFLT1TEKKDRKIT
SCHEMBL4252292 0.84 KDR (0.41) RETFLT1TEKKDRKIT
SCHEMBL3238527 0.83 RET (0.46) RETFLT1TEKKDRKIT

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003657-B2 Heterocyclic substituted bisarylurea derivatives MERCK PATENT GMBH (DE) 2011-08-23 US claimed
US-20090215799-A1 HETEROCYCLIC SUBSTITUTED BISARYLUREA DERIVATIVES MERCK PATENT GMBH 2009-08-27 US claimed
EP-1799669-A1 HETEROCYCLIC SUBSTITUTED BISARYLUREA DERIVATIVES AS KINASE INHIBITORS Merck Patent GmbH (DE) 2007-06-27 EP claimed
WO-2006040056-A1 HETEROCYCLIC SUBSTITUTED BISARYLUREA DERIVATIVES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2006-04-20 WO claimed
US-8003657-B2 Heterocyclic substituted bisarylurea derivatives MERCK PATENT GMBH (DE) 2011-08-23 US disclosed
US-8003657-B2 Heterocyclic substituted bisarylurea derivatives MERCK PATENT GMBH (DE) 2011-08-23 US disclosed
US-8003657-B2 Heterocyclic substituted bisarylurea derivatives MERCK PATENT GMBH (DE) 2011-08-23 US disclosed
US-20090215799-A1 HETEROCYCLIC SUBSTITUTED BISARYLUREA DERIVATIVES MERCK PATENT GMBH 2009-08-27 US disclosed
US-20090215799-A1 HETEROCYCLIC SUBSTITUTED BISARYLUREA DERIVATIVES MERCK PATENT GMBH 2009-08-27 US disclosed
US-20090215799-A1 HETEROCYCLIC SUBSTITUTED BISARYLUREA DERIVATIVES MERCK PATENT GMBH 2009-08-27 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 RET 160/4885FLT1 654/4885TEK 1258/4885
US-20090215799-A1 HETEROCYCLIC SUBSTITUTED BISARYLUREA DERIVATIVES ABL1, BTK, PRKACA RET 253/4885FLT1 600/4885TEK 2787/4885

“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.