SCHEMBL2890061

SCHEMBL2890061

CNc1ccc(Oc2ccnc(C=NOC)c2)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ MAPT P10636 11/20 0.40
▸ HCAR3 P49019 1/20 0.38
▸ NPC1 O15118 5/20 0.37
▸ RAB9A P51151 5/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ RECQL P46063 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PKM P14618 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
SCHEMBL13211125 1.00 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MAPK1MAPTHCAR3
SCHEMBL13838688 0.89 HCAR3 (0.40) SMN1; SMN2ALDH1A1MAPK1MAPTHCAR3
SCHEMBL13211117 0.88 KDM4E (0.43) SMN1; SMN2ALDH1A1MAPK1MAPTHCAR3
SCHEMBL2891150 0.88 KDM4E (0.43) SMN1; SMN2ALDH1A1MAPK1MAPTHCAR3
SCHEMBL2891152 0.88 KDM4E (0.43) SMN1; SMN2ALDH1A1MAPK1MAPTHCAR3
SCHEMBL1435159 0.85 HCAR3 (0.42) SMN1; SMN2ALDH1A1MAPK1MAPTHCAR3
SCHEMBL2894893 0.81 KDR (0.38) —
SCHEMBL13211132 0.81 KDR (0.38) —
SCHEMBL27734810 0.79 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1MAPK1MAPTHCAR3
SCHEMBL13559522 0.79 HCAR3 (0.45) SMN1; SMN2ALDH1A1MAPK1MAPTHCAR3

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 12 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
US-7071216-B2 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase CHIRON CORPORATION (US) 2006-07-04 — — US 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 SMN1; SMN2 4020/4885ALDH1A1 1216/4885MAPK1 86/4885
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF SMN1; SMN2 4075/4885ALDH1A1 1008/4885MAPK1 92/4885
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF SMN1; SMN2 4020/4885ALDH1A1 1216/4885MAPK1 86/4885
US-20100196368-A1 SUBSTITUTED BENZ-AZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF SMN1; SMN2 4075/4885ALDH1A1 1008/4885MAPK1 92/4885
US-20070299039-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF SMN1; SMN2 4075/4885ALDH1A1 1008/4885MAPK1 92/4885

“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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