SCHEMBL2891665

SCHEMBL2891665

CNc1ccc(Oc2ccnc(/C=N/O)c2)cc1N

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KDR P35968 4/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ PRKCI P41743 1/20 0.35
▸ MAPK14 Q16539 4/20 0.33
▸ HTT P42858 1/20 0.33
▸ NR4A1 P22736 1/20 0.33
▸ GCK P35557 1/20 0.32
▸ MAPK13 O15264 2/20 0.31
▸ BRAF P15056 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ RIPK2 O43353 1/20 0.30
▸ EGFR P00533 1/20 0.30

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
SCHEMBL13211123 1.00 KDM4E (0.44) KDM4EALOX15L3MBTL1KDRHSP90AA1
SCHEMBL2891666 1.00 KDM4E (0.44) KDM4EALOX15L3MBTL1KDRHSP90AA1
SCHEMBL13838687 0.89 KDR (0.34) KDM4EALOX15L3MBTL1KDRSCN9A
SCHEMBL2894893 0.86 KDR (0.38) KDREGFR
SCHEMBL13211132 0.86 KDR (0.38) KDREGFR
SCHEMBL2891152 0.80 KDM4E (0.43) KDM4EALOX15L3MBTL1HTTNPC1
SCHEMBL2891150 0.80 KDM4E (0.43) KDM4EALOX15L3MBTL1HTTNPC1
SCHEMBL13211117 0.80 KDM4E (0.43) KDM4EALOX15L3MBTL1HTTNPC1
SCHEMBL12329516 0.78 NOS3 (0.50) KDM4ESCN9APRKCIMAPK14NR4A1
SCHEMBL2890910 0.75 P2RX3 (0.38) KDRSCN9APRKCIMAPK14NR4A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614330-B2 Substituted benz-azoles and methods of their use as inhibitors of RAF kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2013-12-24 — — US disclosed
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES AND DIAGNOSTICS, INC. FORMERLY KNOWN AS CHIRON CORPORATION (US) 2012-11-15 — — US disclosed
US-8299108-B2 for treatment of hematological/hormone-dependent cancer NOVARTIS AG (CH) 2012-10-30 — — US disclosed
US-20100196368-A1 SUBSTITUTED BENZ-AZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-08-05 — — US disclosed
US-7728010-B2 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-06-01 — — US disclosed
EP-1499311-B1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-11-04 — — EP disclosed
US-20070299039-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase CHIRON CORPORATION (US) 2007-12-27 — — US disclosed
EP-1675584-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2006-07-05 — — EP disclosed
US-7071216-B2 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase CHIRON CORPORATION (US) 2006-07-04 — — US disclosed
WO-2005032548-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2005-04-14 — — WO disclosed
EP-1499311-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS Chiron Corporation (US) 2005-01-26 — — EP disclosed
US-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2004-06-24 — — US disclosed
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2004-05-06 — — US disclosed
WO-2003082272-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS CHIRON CORPORATION (US) 2003-10-09 — — 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 (5 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-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF KDM4E 1830/4885ALOX15 4194/4885L3MBTL1 1929/4885
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF KDM4E 1355/4885ALOX15 4174/4885L3MBTL1 2178/4885
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF KDM4E 1830/4885ALOX15 4194/4885L3MBTL1 1929/4885
US-20100196368-A1 SUBSTITUTED BENZ-AZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF KDM4E 1355/4885ALOX15 4174/4885L3MBTL1 2178/4885
US-20070299039-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF KDM4E 1355/4885ALOX15 4174/4885L3MBTL1 2178/4885

“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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