SCHEMBL2890490

SCHEMBL2890490

COc1cc(OC)c(Nc2nc3cc(Oc4ccnc(CC(N)=O)c4)ccc3[nH]2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 1/20 0.40
RAF1 P04049 9/20 0.40
BRAF P15056 8/20 0.39
KDR P35968 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CHEK2 O96017 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL2892561 0.89 SMN1; SMN2 (0.45) RAF1BRAFSMN1; SMN2MAPTKDM4E
SCHEMBL2894094 0.87 RAF1 (0.40) RAF1BRAFSMN1; SMN2MAPTKDM4E
SCHEMBL2892412 0.87 NPC1 (0.50) RAF1BRAFKDRSMN1; SMN2MAPT
SCHEMBL2890884 0.85 RAF1 (0.46) RAF1SMN1; SMN2MAPTLMNA
SCHEMBL2890366 0.84 RAF1 (0.45) RAF1BRAFKDR
SCHEMBL2895296 0.84 RAF1 (0.44) HDAC11RAF1BRAFKDRSMN1; SMN2
SCHEMBL2886172 0.83 RAF1 (0.59) RAF1BRAFKDR
SCHEMBL2886905 0.83 RAF1 (0.44) RAF1BRAFKDRSMN1; SMN2MAPT
SCHEMBL2892204 0.82 RAF1 (0.47) RAF1BRAFKDRCHEK2
SCHEMBL2894422 0.82 RAF1 (0.49) RAF1BRAFKDR

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 HDAC11 704/4885RAF1 2/4885BRAF 1/4885
US-20100196368-A1 SUBSTITUTED BENZ-AZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF HDAC11 857/4885RAF1 2/4885BRAF 1/4885
US-20070299039-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF HDAC11 857/4885RAF1 2/4885BRAF 1/4885

“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.