SCHEMBL3428598

SCHEMBL3428598

CNC(=O)c1cc(Oc2ccc3nc(N(C)c4ccc(OC(F)(F)F)cc4)ncc3c2)ccn1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRAF P15056 19/20 0.72
RAF1 P04049 3/20 0.58
EPHX2 P34913 1/20 0.58

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
SCHEMBL3426354 0.90 BRAF (0.70) BRAFRAF1
SCHEMBL3426459 0.89 BRAF (0.60) BRAFRAF1
SCHEMBL3424848 0.88 BRAF (0.70) BRAFRAF1
SCHEMBL3429620 0.88 BRAF (0.62) BRAFRAF1
SCHEMBL3426984 0.88 BRAF (0.69) BRAFRAF1
SCHEMBL3426283 0.84 BRAF (1.00) BRAFRAF1EPHX2
SCHEMBL3045820 0.82 BRAF (0.54) BRAFRAF1
SCHEMBL3428678 0.79 BRAF (1.00) BRAFRAF1EPHX2
SCHEMBL13884181 0.77 BRAF (0.77) BRAF
SCHEMBL12015874 0.77 RAF1 (0.61) BRAFRAF1EPHX2

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-7691866-B2 2,6-disubstituted quinazolines, quinoxalines, quinolines and isoquinolines and methods of their use as inhibitors of Raf kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-04-06 US disclosed
US-7691866-B2 2,6-disubstituted quinazolines, quinoxalines, quinolines and isoquinolines and methods of their use as inhibitors of Raf kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-04-06 US disclosed
US-7691866-B2 2,6-disubstituted quinazolines, quinoxalines, quinolines and isoquinolines and methods of their use as inhibitors of Raf kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-04-06 US disclosed
US-20090317359-A1 2,6-DISUBSTITUTED QUINAZOLINES, QUINOXALINES, QUINOLINES AND ISOQUINOLINES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2009-12-24 US disclosed
US-20090317359-A1 2,6-DISUBSTITUTED QUINAZOLINES, QUINOXALINES, QUINOLINES AND ISOQUINOLINES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2009-12-24 US disclosed
US-20090317359-A1 2,6-DISUBSTITUTED QUINAZOLINES, QUINOXALINES, QUINOLINES AND ISOQUINOLINES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2009-12-24 US disclosed
US-20050085482-A1 2,6-Disubstituted quinazolines, quinoxalines, quinolines and isoquinolines and methods of their use as inhibitors of RAF kinase CHIRON CORPORATION (US) 2005-04-21 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 (2 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-20050085482-A1 2,6-Disubstituted quinazolines, quinoxalines, quinolines and isoquinolines and methods of their use as inhibitors of RAF kinase RAF1, BRAF, ARAF BRAF 2/4885RAF1 1/4885EPHX2 2444/4885
US-20090317359-A1 2,6-DISUBSTITUTED QUINAZOLINES, QUINOXALINES, QUINOLINES AND ISOQUINOLINES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE RAF1, BRAF, ARAF BRAF 2/4885RAF1 1/4885EPHX2 2444/4885

“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.