SCHEMBL9930497

SCHEMBL9930497

CCCS(=O)(=O)N(Cc1ccc(OC)cc1)c1ccc(F)c(NC(=O)c2snc3c(NCC)ncnc23)c1F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.35
AURKA O14965 6/20 0.33
AURKB Q96GD4 3/20 0.33
RPS6KB1 P23443 2/20 0.33
TP53 P04637 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.30
TNF P01375 1/20 0.30
KMT2A Q03164 1/20 0.30
NOD2 Q9HC29 1/20 0.30
NOD1 Q9Y239 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
SCHEMBL9931391 0.90 BRAF (0.42) BRAFTP53LMNAMAPTMEN1
SCHEMBL9930834 0.81 BRAF (0.49) BRAFTP53
SCHEMBL9930333 0.79 BRAF (0.49) BRAFTP53
SCHEMBL9930743 0.79 CYP1A2 (0.35) BRAFAURKAAURKBRPS6KB1LMNA
SCHEMBL9930556 0.78 BRAF (0.48) BRAFTP53
SCHEMBL9930341 0.78 BRAF (0.48) BRAFTP53
SCHEMBL9930345 0.78 BRAF (0.37) BRAFTP53LMNAMAPT
SCHEMBL9930124 0.78 BRAF (0.48) BRAFTP53MEN1KMT2A
SCHEMBL10251286 0.78 BRAF (0.57) BRAF
SCHEMBL9930496 0.77 BRAF (0.39) BRAFAURKAAURKBRPS6KB1

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-20120157439-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-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF BRAF 1/4885AURKA 1013/4885AURKB 937/4885

“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.