SCHEMBL9967979

SCHEMBL9967979

CCCS(=O)(=O)Nc1ccc(F)c(NC(=O)Nc2ncnc3[nH]nc(N4CCOCC4)c23)c1F

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.69
PIK3CA P42336 1/20 0.41
CYP2C19 P33261 1/20 0.40
CYP3A4 P08684 1/20 0.39

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
SCHEMBL9967980 0.93 BRAF (0.72) BRAFCYP2C19CYP3A4
SCHEMBL9967965 0.83 BRAF (0.79) BRAFCYP3A4
SCHEMBL9931583 0.82 BRAF (0.43) BRAF
SCHEMBL9967966 0.82 BRAF (1.00) BRAF
SCHEMBL1437153 0.82 BRAF (0.87) BRAFCYP3A4
SCHEMBL9931581 0.81 BRAF (0.42) BRAF
SCHEMBL9967964 0.79 BRAF (0.82) BRAF
SCHEMBL9967961 0.76 BRAF (1.00) BRAF
SCHEMBL9967968 0.76 BRAF (0.72) BRAFCYP3A4
SCHEMBL9967962 0.76 BRAF (0.77) BRAFCYP2C19CYP3A4

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-20120157453-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2012-06-21 US disclosed
US-20120157453-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2012-06-21 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 (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-20120157453-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF BRAF 1/4885PIK3CA 114/4885CYP2C19 2757/4885

“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.