SCHEMBL9931498

SCHEMBL9931498

NC(=O)c1ccc(F)c(NC(=O)Nc2ncnc3[nH]ccc23)c1F

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.46
TTBK1 Q5TCY1 6/20 0.43
TTBK2 Q6IQ55 6/20 0.43
EGFR P00533 2/20 0.40
AURKB Q96GD4 2/20 0.40
TNNI3K Q59H18 1/20 0.40
BTK Q06187 3/20 0.39
INCENP Q9NQS7 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 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
SCHEMBL9931500 0.86 BRAF (0.47) BRAFTTBK1TTBK2EGFRAURKB
SCHEMBL9932324 0.83 BRAF (0.61) BRAFTTBK1MKNK1
SCHEMBL9932544 0.82 BRAF (0.39) BRAFAURKBMKNK1
SCHEMBL9932670 0.80 EGFR (0.42) BRAFEGFRAURKB
SCHEMBL9932401 0.79 BRAF (0.41) BRAFAURKB
SCHEMBL9932667 0.78 JAK1 (0.40) BRAF
SCHEMBL9933084 0.78 BRAF (0.38) BRAFAURKBBTK
SCHEMBL9932430 0.77 BRAF (0.38) BRAFAURKB
SCHEMBL9932910 0.77 BRAF (0.47) BRAFEGFRAURKB
SCHEMBL9932224 0.77 BRAF (0.65) BRAFAURKBBTK

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 1 patent. 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

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 1/4885TTBK1 166/4885TTBK2 105/4885

“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.