SCHEMBL2335664

SCHEMBL2335664

NC(=O)c1ncn(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)cc2)c1N

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HPGD P15428 2/20 0.50
MAPT P10636 1/20 0.50
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
NTRK1 P04629 6/20 0.48
KDR P35968 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
BLM P54132 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL2331434 0.87 NTRK1 (0.52) ALDH1A1HPGDNTRK1KDRAURKA
SCHEMBL2335223 0.86 NTRK1 (0.51) ALDH1A1HPGDNTRK1KDRAURKA
SCHEMBL4264162 0.84 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL5444130 0.84 KDR (0.57) NTRK1KDRAURKAAURKB
SCHEMBL4264165 0.81 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL5445047 0.80 RAF1 (0.51) MAPTKDM4ENTRK1KDRAURKA
SCHEMBL2330266 0.79 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL5436578 0.79 KDR (0.64) ALDH1A1MAPTNTRK1KDRMEN1
SCHEMBL2333345 0.77 KDR (0.59) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL4256796 0.76 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD

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 15 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
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 (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 ALDH1A1 2311/4885CYP1A2 462/4885CYP2C9 518/4885
US-20090215799-A1 HETEROCYCLIC SUBSTITUTED BISARYLUREA DERIVATIVES ABL1, BTK, PRKACA ALDH1A1 1181/4885CYP1A2 280/4885CYP2C9 168/4885

“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.