Sugi Predict

Sugi Predict / Compounds / SCHEMBL1435396

SCHEMBL1435396

SCHEMBL1435396

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.44
▸ NPC1 O15118 5/20 0.44
▸ RAB9A P51151 5/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ HCAR3 P49019 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.41
▸ HTT P42858 2/20 0.40
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ PKM P14618 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CDC25B P30305 1/20 0.37
▸ MAPK1 P28482 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
SCHEMBL13167424 0.89 HCAR3 (0.41) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL13559522 0.84 HCAR3 (0.45) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL6522547 0.83 HCAR3 (0.57) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4326964 0.82 HCAR3 (0.44) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL27734810 0.81 ALDH1A1 (0.44) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL12329791 0.81 KDR (0.47) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL1435322 0.81 ALDH1A1 (0.43) MAPTSMN1; SMN2KMT2AMEN1HTT
SCHEMBL27883439 0.81 MEN1 (0.41) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL12812456 0.81 ALDH1A1 (0.42) MAPTRAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL1435159 0.81 HCAR3 (0.42) MAPTNPC1RAB9ASMN1; SMN2KMT2A

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 62 patents — showing the first 20. 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-8592459-B2 Substituted benzimidazoles and methods of their use NOVARTIS AG (CH) 2013-11-26 — — US disclosed
CN-101253168-B Substituted benzimidazoles as kinase inhibitors NOVARTIS AG 2012-12-12 — — CN 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-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-8299108-B2 for treatment of hematological/hormone-dependent cancer NOVARTIS AG (CH) 2012-10-30 — — US disclosed
CN-101253169-B Substituted benzimidazoles and processes for their preparation NOVARTIS AG 2011-11-23 — — CN disclosed
EP-1926722-B1 SUBSTITUTED BENZIMIDAZOLES AS KINASE INHIBITORS NOVARTIS AG (CH) 2011-09-28 — — EP disclosed
EP-1926722-B1 SUBSTITUTED BENZIMIDAZOLES AS KINASE INHIBITORS NOVARTIS AG (CH) 2011-09-28 — — EP disclosed
US-20070049622-A1 Substituted benzimidazoles and methods of preparation NOVARTIS AG 2007-03-01 — — US disclosed
US-20070049622-A1 Substituted benzimidazoles and methods of preparation NOVARTIS AG 2007-03-01 — — US disclosed
US-20070049622-A1 Substituted benzimidazoles and methods of preparation NOVARTIS AG 2007-03-01 — — 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 (4 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-20070049622-A1 Substituted benzimidazoles and methods of preparation ABL1, CDK2, KIT MAPT 4422/4885NPC1 3162/4885RAB9A 2326/4885
US-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF MAPT 3948/4885NPC1 4125/4885RAB9A 1662/4885
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF MAPT 3981/4885NPC1 4460/4885RAB9A 1810/4885
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF MAPT 3948/4885NPC1 4125/4885RAB9A 1662/4885

“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.