SCHEMBL2333899

SCHEMBL2333899

Nc1ncnc2c1c(=O)ccn2-c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2-n2ccnn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 8/20 0.51
KDR P35968 8/20 0.48
RET P07949 3/20 0.47
FLT1 P17948 7/20 0.44
TEK Q02763 5/20 0.44
KIT P10721 5/20 0.44
CSF1R P07333 4/20 0.44
FLT4 P35916 4/20 0.44
FLT3 P36888 4/20 0.44
GSK3A P49840 3/20 0.44
GSK3B P49841 3/20 0.44
AURKA O14965 3/20 0.44
LCK P06239 3/20 0.44
FGFR1 P11362 3/20 0.44
RIPK1 Q13546 2/20 0.44
PDGFRB P09619 2/20 0.44
PDGFRA P16234 2/20 0.44
FGFR3 P22607 2/20 0.44
PLK4 O00444 2/20 0.44
MAPK13 O15264 2/20 0.44

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
SCHEMBL2337959 0.91 NTRK1 (0.51) NTRK1KDRRETFLT1TEK
SCHEMBL2336170 0.89 RET (0.48) NTRK1KDRRETFLT1TEK
SCHEMBL2330266 0.89 ALDH1A1 (0.47) NTRK1KDRRETFLT1TEK
SCHEMBL2333052 0.88 ALDH1A1 (0.51) NTRK1KDRRETFLT1TEK
SCHEMBL3831528 0.87 RET (0.61) NTRK1KDRRETFLT1TEK
SCHEMBL9946889 0.86 NTRK1 (0.51) NTRK1KDRRETFLT1TEK
SCHEMBL4260680 0.86 KDR (0.52) NTRK1KDRRETFLT1KIT
SCHEMBL3835826 0.85 KDR (0.51) NTRK1KDRRETFLT1TEK
SCHEMBL4259330 0.84 KDR (0.52) NTRK1KDRRETFLT1TEK
SCHEMBL3238527 0.84 RET (0.46) NTRK1KDRRETFLT1TEK

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 20 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
CN-101039932-A Heterocyclic substituted bisarylurea derivatives as kinase inhibitors MERCK PATENT GMBH (DE) 2007-09-19 CN 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-8669274-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-03-11 US disclosed
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-20120149729-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-06-14 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-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
CN-101039932-A Heterocyclic substituted bisarylurea derivatives as kinase inhibitors MERCK PATENT GMBH (DE) 2007-09-19 CN disclosed
EP-1799669-A1 HETEROCYCLIC SUBSTITUTED BISARYLUREA DERIVATIVES AS KINASE INHIBITORS Merck Patent GmbH (DE) 2007-06-27 EP disclosed
WO-2006040056-A1 HETEROCYCLIC SUBSTITUTED BISARYLUREA DERIVATIVES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2006-04-20 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 (3 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 828/4885KDR 993/4885RET 160/4885
US-20090215799-A1 HETEROCYCLIC SUBSTITUTED BISARYLUREA DERIVATIVES ABL1, BTK, PRKACA NTRK1 3060/4885KDR 967/4885RET 253/4885
US-20120149729-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO NTRK1 3659/4885KDR 4644/4885RET 1211/4885

“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.