SCHEMBL2893885

SCHEMBL2893885

Cn1c(Nc2cc(C(F)(F)F)ccc2F)nc2cc(Oc3ccnc(CC(N)=O)c3)ccc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 16/20 0.71
LCK P06239 2/20 0.64
CYP3A4 P08684 3/20 0.62
RAF1 P04049 7/20 0.55
KDR P35968 3/20 0.55
TEK Q02763 3/20 0.55
STK25 O00506 1/20 0.47
CIT O14578 1/20 0.47
EPHB6 O15197 1/20 0.47
MAP3K7 O43318 1/20 0.47
RIPK2 O43353 1/20 0.47
PAK3 O75914 1/20 0.47
STK10 O94804 1/20 0.47
MAP4K4 O95819 1/20 0.47
ABL1 P00519 1/20 0.47
FYN P06241 1/20 0.47
CSF1R P07333 1/20 0.47
YES1 P07947 1/20 0.47
LYN P07948 1/20 0.47
RET P07949 1/20 0.47

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
SCHEMBL2891838 0.91 BRAF (0.59) BRAFLCKCYP3A4RAF1KDR
SCHEMBL2893890 0.90 BRAF (0.57) BRAFLCKCYP3A4RAF1
SCHEMBL13559580 0.88 BRAF (0.76) BRAFLCKCYP3A4RAF1KDR
SCHEMBL2891101 0.87 BRAF (0.55) BRAFLCKRAF1
SCHEMBL6456256 0.86 BRAF (0.68) BRAFLCKCYP3A4RAF1KDR
SCHEMBL2894143 0.85 BRAF (0.76) BRAFLCKCYP3A4RAF1KDR
SCHEMBL2892833 0.85 RAF1 (0.51) BRAFLCKRAF1
SCHEMBL12811799 0.84 BRAF (0.72) BRAFLCKCYP3A4RAF1KDR
SCHEMBL14565809 0.84 BRAF (0.70) BRAFLCKCYP3A4RAF1KDR
SCHEMBL13933535 0.84 BRAF (0.82) BRAFLCKCYP3A4RAF1KDR

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 7 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
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 BRAF 1/4885LCK 250/4885CYP3A4 1457/4885
US-20100196368-A1 SUBSTITUTED BENZ-AZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF BRAF 1/4885LCK 198/4885CYP3A4 1382/4885
US-20070299039-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF BRAF 1/4885LCK 198/4885CYP3A4 1382/4885

“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.