SCHEMBL4329043

SCHEMBL4329043

CNc1ccc(Oc2ccnc(NC(=O)OC3CN(C(=O)OC(C)(C)C)C3)c2)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.39
BRAF P15056 12/20 0.39
MAPK14 Q16539 2/20 0.36
MAPK13 O15264 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
SCHEMBL4333723 0.87 KDR (0.40) KDRBRAFMAPK14
SCHEMBL4423786 0.85 KDR (0.47) KDRBRAF
SCHEMBL13788580 0.85 GCK (0.43) KDRBRAFMAPK14MAPK13
SCHEMBL13933319 0.84 MAPK14 (0.37) KDRBRAFMAPK14
SCHEMBL13788593 0.83 MAPK14 (0.38) KDRBRAFMAPK14MAPK13
SCHEMBL4329061 0.82 AXL (0.43) KDRBRAF
SCHEMBL13788612 0.80 LMNA (0.47) KDRBRAF
SCHEMBL4333034 0.79 MAPK14 (0.40) MAPK14MAPK13
SCHEMBL13788549 0.77 ALDH1A1 (0.52) MAPK14
SCHEMBL4323749 0.76 BRAF (0.49) KDRBRAF

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130224195-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE COSTALES ABRAN (US) 2013-08-29 US disclosed
US-8415382-B2 Substituted benzazoles and methods of their use as inhibitors of RAF Kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2013-04-09 US disclosed
US-8415382-B2 Substituted benzazoles and methods of their use as inhibitors of RAF Kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2013-04-09 US disclosed
EP-1682126-B1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-07-01 EP disclosed
US-20090035309-A1 Substituted Benzazoles and Methods of Their Use as Inhibitors of RAF Kinase NOVARTIS AG 2009-02-05 US disclosed
US-7423150-B2 Substituted benzazoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2008-09-09 US disclosed
EP-1682126-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2006-07-26 EP disclosed
US-20050192287-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase CHIRON CORPORATION (US) 2005-09-01 US disclosed
WO-2005037273-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2005-04-28 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-20090035309-A1 Substituted Benzazoles and Methods of Their Use as Inhibitors of RAF Kinase BRAF, RAF1, ARAF KDR 1373/4885BRAF 1/4885MAPK14 74/4885
US-20130224195-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF KDR 1373/4885BRAF 1/4885MAPK14 74/4885
US-20050192287-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF KDR 1373/4885BRAF 1/4885MAPK14 74/4885

“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.