SCHEMBL4256796

SCHEMBL4256796

Nc1c2c(=O)ccn(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4-n4cncn4)cc3)c2nc[n+]1[O-]

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
KDR P35968 2/20 0.43
NTRK1 P04629 7/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RET P07949 1/20 0.36
BRAF P15056 1/20 0.36

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
SCHEMBL4258706 0.89 NTRK1 (0.47) KDRNTRK1BRAF
SCHEMBL4260680 0.89 KDR (0.52) KDRNTRK1RETBRAF
SCHEMBL4259427 0.88 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL4259140 0.88 ALDH1A1 (0.49) ALDH1A1KDRNTRK1MEN1KMT2A
SCHEMBL4259437 0.88 KDR (0.41) ALDH1A1KDRNTRK1RETBRAF
SCHEMBL2330266 0.87 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL4264162 0.79 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL4262614 0.78 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL4256126 0.77 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL4260696 0.77 NTRK1 (0.49) KDRNTRK1RET

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 6 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
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 ALDH1A1 2311/4885CYP1A2 462/4885CYP2C9 518/4885

“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.