SCHEMBL9933089

SCHEMBL9933089

Nc1ccc(F)c(NC(=O)Nc2ncnc3[nH]c(=S)[nH]c23)c1F

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.40
ERAP1 Q9NZ08 1/20 0.38
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
EGFR P00533 1/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL9933084 0.88 BRAF (0.38) BRAFERAP1NPC1RAB9A
SCHEMBL9967976 0.80 BRAF (0.68) BRAF
SCHEMBL9932549 0.78 BRAF (0.41) BRAFNPC1RAB9AEGFRKMT2A
SCHEMBL9931500 0.78 BRAF (0.47) BRAFEGFR
SCHEMBL9932437 0.77 BRAF (0.39) BRAFEGFR
SCHEMBL9932327 0.77 BRAF (0.63) BRAF
SCHEMBL9932406 0.77 BRAF (0.42) BRAFKMT2A
SCHEMBL9932914 0.76 BRAF (0.49) BRAFEGFR
SCHEMBL9932270 0.76 BRAF (0.38) BRAFEGFRKMT2A
SCHEMBL9932676 0.74 FDPS (0.44) BRAFNPC1RAB9AEGFRKMT2A

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 1/4885ERAP1 3628/4885NPC1 2600/4885

“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.