SCHEMBL4333034

SCHEMBL4333034

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
RAB9A P51151 5/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
NPC1 O15118 4/20 0.39
POLB P06746 2/20 0.39
PKM P14618 2/20 0.39
MAPT P10636 2/20 0.39
GCK P35557 1/20 0.39
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.38
P2RX3 P56373 1/20 0.38
HCAR3 P49019 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
MAPK13 O15264 1/20 0.37

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
SCHEMBL13788580 0.90 GCK (0.43) MAPK14KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL4326186 0.83 MAPT (0.49) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL4320354 0.83 SMN1; SMN2 (0.44) MAPK14KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL4330329 0.82 SMN1; SMN2 (0.50) MAPK14KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL13788542 0.80 HTT (0.56) MAPK14KMT2AMEN1NPC1POLB
SCHEMBL13788614 0.80 ALDH1A1 (0.46) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL4329061 0.80 AXL (0.43)
SCHEMBL21581665 0.80 RIOK2 (0.51) MAPK14KMT2AMEN1RAB9AGCK
SCHEMBL4336815 0.80 SMN1; SMN2 (0.45) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL4329043 0.79 KDR (0.39) MAPK14MAPK13

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-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
EP-1682126-B1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-07-01 EP 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-20090035309-A1 Substituted Benzazoles and Methods of Their Use as Inhibitors of RAF Kinase NOVARTIS AG 2009-02-05 US 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
US-7423150-B2 Substituted benzazoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2008-09-09 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
US-20050192287-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase CHIRON CORPORATION (US) 2005-09-01 US 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 MAPK14 74/4885KMT2A 1557/4885MEN1 2406/4885
US-20130224195-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF MAPK14 74/4885KMT2A 1557/4885MEN1 2406/4885
US-20050192287-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF MAPK14 74/4885KMT2A 1557/4885MEN1 2406/4885

“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.