SCHEMBL2336030

SCHEMBL2336030

O=C(Nc1ccc(Oc2ccncc2)cc1)Nc1cc(C(F)(F)F)ccc1-n1ccnn1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.68
NTRK1 P04629 7/20 0.60
BRAF P15056 4/20 0.60
MAPK14 Q16539 2/20 0.60
TNNI3K Q59H18 2/20 0.60
RAF1 P04049 7/20 0.49
TEK Q02763 1/20 0.46

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
SCHEMBL4260334 0.90 KDR (0.78) KDRNTRK1BRAFMAPK14TNNI3K
SCHEMBL2333774 0.87 KDR (0.61) KDRNTRK1BRAFMAPK14TNNI3K
SCHEMBL2333147 0.86 KDR (0.73) KDRNTRK1BRAFMAPK14TNNI3K
SCHEMBL2329806 0.86 KDR (0.62) KDRBRAFMAPK14TNNI3KRAF1
SCHEMBL2333345 0.85 KDR (0.59) KDRNTRK1BRAFMAPK14TNNI3K
SCHEMBL2334638 0.85 ALDH1A1 (0.63) KDRBRAFMAPK14TNNI3KRAF1
SCHEMBL9945346 0.84 KDR (0.73) KDRNTRK1BRAFMAPK14TNNI3K
SCHEMBL4253679 0.82 KDR (1.00) KDRNTRK1BRAFMAPK14TNNI3K
SCHEMBL937617 0.81 KDR (0.69) KDRBRAFMAPK14TNNI3KRAF1
SCHEMBL2339137 0.80 KDR (0.65) KDRRAF1TEK

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
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
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 (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 KDR 993/4885NTRK1 828/4885BRAF 39/4885
US-20090215799-A1 HETEROCYCLIC SUBSTITUTED BISARYLUREA DERIVATIVES ABL1, BTK, PRKACA KDR 967/4885NTRK1 3060/4885BRAF 6/4885
US-20120149729-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO KDR 4644/4885NTRK1 3659/4885BRAF 2576/4885

“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.