SCHEMBL2890884

SCHEMBL2890884

COc1cc([N+](=O)[O-])ccc1Nc1nc2cc(Oc3ccnc(CC(N)=O)c3)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.46
GAA P10253 2/20 0.41
ALDH1A1 P00352 7/20 0.41
PKM P14618 3/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 6/20 0.41
MEN1 O00255 4/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL2892412 0.86 NPC1 (0.50) RAF1ALDH1A1PKMKMT2AMEN1
SCHEMBL2890490 0.85 HDAC11 (0.40) RAF1MAPTLMNASMN1; SMN2
SCHEMBL2892561 0.84 SMN1; SMN2 (0.45) RAF1ALDH1A1HTTKMT2AMEN1
SCHEMBL2891717 0.84 RAF1 (0.55) RAF1
SCHEMBL2894094 0.83 RAF1 (0.40) RAF1PKMHTTKMT2AMEN1
SCHEMBL2890894 0.83 RAF1 (0.46) RAF1GAAALDH1A1PKMHTT
SCHEMBL2895296 0.82 RAF1 (0.44) RAF1SMN1; SMN2
SCHEMBL2890879 0.80 RAF1 (0.41) RAF1GAAALDH1A1PKMHTT
SCHEMBL2886905 0.80 RAF1 (0.44) RAF1ALDH1A1KMT2AMEN1MAPT
SCHEMBL2892567 0.79 RAF1 (0.40) RAF1

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 8 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

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-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF RAF1 2/4885GAA 1389/4885ALDH1A1 1216/4885
US-20100196368-A1 SUBSTITUTED BENZ-AZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF RAF1 2/4885GAA 1340/4885ALDH1A1 1008/4885
US-20070299039-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF RAF1 2/4885GAA 1340/4885ALDH1A1 1008/4885

“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.