SCHEMBL2886701

SCHEMBL2886701

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.53
CDC25B P30305 1/20 0.46
HTT P42858 1/20 0.45
AKR1C3 P42330 4/20 0.45
AKR1C2 P52895 4/20 0.45
MAPT P10636 6/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK1 P28482 2/20 0.43
AKR1B10 O60218 1/20 0.42
AKR1B1 P15121 1/20 0.42
AKR1C4 P17516 1/20 0.42
AKR1C1 Q04828 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL1217486 0.89 KDR (0.54) HCAR3KDR
SCHEMBL4330384 0.89 HCAR3 (0.46) HCAR3CDC25BHTTMAPTNPC1
SCHEMBL2892416 0.87 RAF1 (0.45) HCAR3CDC25BHTTMAPTNPC1
SCHEMBL1435646 0.85 HCAR3 (0.43) HCAR3CDC25BHTTMAPTNPC1
SCHEMBL13210813 0.85 BRAF (0.47) HCAR3HTTMAPTNPC1RAB9A
SCHEMBL15221593 0.84 TSHR (0.50) HTTMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4320169 0.83 HCAR3 (0.43) HCAR3AKR1C3AKR1C2MAPTSMN1; SMN2
SCHEMBL13559522 0.83 HCAR3 (0.45) HCAR3CDC25BHTTMAPTNPC1
SCHEMBL4373826 0.83 AURKB (0.43) HTTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL13788542 0.82 HTT (0.56) HCAR3HTTMAPTNPC1MEN1

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 45 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-20130224195-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE COSTALES ABRAN (US) 2013-08-29 US disclosed
US-20130224195-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE COSTALES ABRAN (US) 2013-08-29 US disclosed
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
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-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
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
US-20050192287-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase CHIRON CORPORATION (US) 2005-09-01 US disclosed
CN-1655779-A substituted indoles and their use as Raf kinase inhibitors CHIRON CORP (US) 2005-08-17 CN disclosed
WO-2005037273-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2005-04-28 WO 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 HCAR3 3234/4885CDC25B 589/4885HTT 4527/4885
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF HCAR3 3586/4885CDC25B 500/4885HTT 4400/4885
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF HCAR3 3234/4885CDC25B 589/4885HTT 4527/4885
US-20130224195-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF HCAR3 3290/4885CDC25B 615/4885HTT 4417/4885
US-20050192287-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF HCAR3 3290/4885CDC25B 615/4885HTT 4417/4885

“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.