SCHEMBL2891998

SCHEMBL2891998

CNC(=O)c1cc(Oc2ccc3[nH]c(Nc4ccc(F)c(C(F)(F)F)c4)nc3c2)ccn1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 15/20 0.72
BRAF P15056 14/20 0.72
KDR P35968 7/20 0.72
RIPK2 O43353 2/20 0.53
ABCB11 O95342 2/20 0.53
ABL1 P00519 2/20 0.53
RET P07949 2/20 0.53
HTR1A P08908 2/20 0.53
PDGFRB P09619 2/20 0.53
ADORA3 P0DMS8 2/20 0.53
KIT P10721 2/20 0.53
FGFR1 P11362 2/20 0.53
PDGFRA P16234 2/20 0.53
FLT1 P17948 2/20 0.53
MAOA P21397 2/20 0.53
EPHA1 P21709 2/20 0.53
TBXA2R P21731 2/20 0.53
EPHA2 P29317 2/20 0.53
TTK P33981 2/20 0.53
EPHX2 P34913 2/20 0.53

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
SCHEMBL2891608 0.92 RAF1 (0.72) RAF1BRAFKDRRIPK2ABCB11
SCHEMBL4363514 0.91 RAF1 (0.88) RAF1BRAFKDRRIPK2ABCB11
SCHEMBL2893930 0.90 RAF1 (0.67) RAF1BRAFKDR
SCHEMBL2890209 0.89 RAF1 (0.77) RAF1BRAFKDRRIPK2ABCB11
SCHEMBL2892694 0.88 RAF1 (0.69) RAF1BRAFKDR
SCHEMBL12627835 0.88 RAF1 (0.65) RAF1BRAFKDRRIPK2ABCB11
SCHEMBL12656669 0.87 RAF1 (0.62) RAF1BRAFKDRRIPK2ABCB11
SCHEMBL2895388 0.87 RAF1 (0.70) RAF1BRAFKDRHIPK4
SCHEMBL12627839 0.86 RAF1 (0.66) RAF1BRAFKDRRIPK2ABCB11
SCHEMBL2886161 0.86 RAF1 (0.68) 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 18 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-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
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-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-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
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
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-20070299039-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase CHIRON CORPORATION (US) 2007-12-27 US 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 2/4885BRAF 1/4885KDR 1078/4885
US-20100196368-A1 SUBSTITUTED BENZ-AZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF RAF1 2/4885BRAF 1/4885KDR 891/4885
US-20070299039-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF RAF1 2/4885BRAF 1/4885KDR 891/4885

“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.