SCHEMBL12825907

SCHEMBL12825907

CC(C)CS(=O)(=O)Nc1ccc(F)c(NC(=O)c2cccc3c(N)ncnc23)c1Cl

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRAF P15056 11/20 0.80
ERN1 O75460 9/20 0.56
CYP2C9 P11712 2/20 0.42
RAF1 P04049 1/20 0.42
CYP3A4 P08684 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
SCHEMBL12825895 0.91 BRAF (0.79) BRAFERN1CYP2C9RAF1CYP3A4
SCHEMBL12826137 0.91 BRAF (0.88) BRAFERN1CYP2C9RAF1
SCHEMBL1461862 0.89 BRAF (1.00) BRAFERN1CYP2C9RAF1
SCHEMBL14642739 0.88 BRAF (0.65) BRAFERN1CYP2C9RAF1CYP3A4
SCHEMBL12826132 0.88 BRAF (0.80) BRAFERN1CYP2C9RAF1
SCHEMBL12826222 0.86 BRAF (0.83) BRAFERN1CYP2C9RAF1
SCHEMBL14616648 0.86 BRAF (0.76) BRAFERN1CYP2C9RAF1
SCHEMBL12826147 0.85 BRAF (0.75) BRAFERN1
SCHEMBL12826148 0.84 BRAF (0.76) BRAFERN1
SCHEMBL9931540 0.84 BRAF (0.80) BRAFERN1CYP2C9RAF1CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130018033-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2013-01-17 US disclosed
WO-2011025938-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-03-03 WO 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 (1 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-20130018033-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF BRAF 1/4885ERN1 185/4885CYP2C9 2926/4885

“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.