SCHEMBL4259419

SCHEMBL4259419

O=C(Nc1ccc(Nc2c3c(=O)cc[nH]c3nc[n+]2[O-])cc1)Nc1cc(C(F)(F)F)ccc1-n1ccnn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 7/20 0.52
▸ NTRK1 P04629 4/20 0.45
▸ IDH2 P48735 2/20 0.37
▸ BRAF P15056 4/20 0.37
▸ EGLN2 Q96KS0 1/20 0.36
▸ CDK8 P49336 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ LYN P07948 1/20 0.35
▸ KIT P10721 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ FLT1 P17948 1/20 0.35
▸ FLT4 P35916 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ BLK P51451 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ALDH1A1 P00352 1/20 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
SCHEMBL4259751 0.89 KDR (0.54) KDRNTRK1IDH2BRAFCDK8
SCHEMBL4262614 0.87 ALDH1A1 (0.46) KDRNTRK1BRAFMEN1KMT2A
SCHEMBL2333691 0.85 KDR (0.47) KDRNTRK1BRAFABL1LCK
SCHEMBL4260680 0.79 KDR (0.52) KDRNTRK1IDH2BRAFABL1
SCHEMBL4259330 0.79 KDR (0.52) KDRNTRK1IDH2ABL1LCK
SCHEMBL4256126 0.76 ALDH1A1 (0.45) KDRNTRK1BRAFFLT3MEN1
SCHEMBL4259424 0.74 KDR (0.46) KDRNTRK1IDH2BRAFCDK8
SCHEMBL4260334 0.74 KDR (0.78) KDRNTRK1BRAFMAPK14TNNI3K
SCHEMBL15500073 0.73 KDR (0.48) KDRNTRK1IDH2BRAFCDK8
SCHEMBL2333081 0.73 ALDH1A1 (0.48) KDRNTRK1BRAFFLT3MEN1

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 7 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
WO-2012082746-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-06-21 — — WO 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 (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 KDR 993/4885NTRK1 828/4885IDH2 481/4885

“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.

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