SCHEMBL2887098

SCHEMBL2887098

CN(C=O)c1cc(Oc2ccc3[nH]c(Nc4cc(C(F)(F)F)ccc4F)nc3c2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.45
CYP3A4 P08684 3/20 0.45
TEK Q02763 9/20 0.44
KDR P35968 8/20 0.44
RAF1 P04049 4/20 0.44
LCK P06239 1/20 0.41

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
SCHEMBL2889454 0.91 KDR (0.45) BRAFCYP3A4TEKKDRRAF1
SCHEMBL2887660 0.90 KDR (0.41) BRAFCYP3A4TEKKDRRAF1
SCHEMBL2893799 0.87 RAF1 (0.44) BRAFTEKKDRRAF1
SCHEMBL2894262 0.86 BRAF (0.48) BRAFTEKKDRRAF1LCK
SCHEMBL2892565 0.84 RAF1 (0.38) BRAFTEKKDRRAF1
SCHEMBL2893883 0.82 BRAF (0.68) BRAFCYP3A4TEKKDRRAF1
SCHEMBL2892127 0.82 RAF1 (0.41) BRAFTEKKDRRAF1
SCHEMBL2890363 0.81 RAF1 (0.43) BRAFTEKKDRRAF1
SCHEMBL13209731 0.81 RAF1 (0.68) BRAFKDRRAF1
SCHEMBL2892408 0.79 NPC1 (0.51) BRAFTEKKDRRAF1

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 BRAF 1/4885CYP3A4 1457/4885TEK 2466/4885
US-20100196368-A1 SUBSTITUTED BENZ-AZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF BRAF 1/4885CYP3A4 1382/4885TEK 1805/4885
US-20070299039-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF BRAF 1/4885CYP3A4 1382/4885TEK 1805/4885

“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.