SCHEMBL9933084

SCHEMBL9933084

NC(=O)c1ccc(F)c(NC(=O)Nc2ncnc3[nH]c(=S)[nH]c23)c1F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.38
ERAP1 Q9NZ08 1/20 0.36
AURKA O14965 8/20 0.32
RPS6KB1 P23443 8/20 0.32
PDPK1 O15530 1/20 0.32
BTK Q06187 2/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
AURKB Q96GD4 2/20 0.31
AKT1 P31749 1/20 0.30
MAP2K2 P36507 1/20 0.30
MAP2K1 Q02750 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
SCHEMBL9933089 0.88 BRAF (0.40) BRAFERAP1NPC1RAB9A
SCHEMBL9931498 0.78 BRAF (0.46) BRAFBTKAURKB
SCHEMBL9932544 0.78 BRAF (0.39) BRAFAURKARPS6KB1PDPK1NPC1
SCHEMBL9932430 0.77 BRAF (0.38) BRAFAURKARPS6KB1PDPK1AURKB
SCHEMBL9932324 0.77 BRAF (0.61) BRAFPDPK1
SCHEMBL9932401 0.77 BRAF (0.41) BRAFAURKARPS6KB1PDPK1AURKB
SCHEMBL9967976 0.77 BRAF (0.68) BRAF
SCHEMBL9932260 0.76 PARP1 (0.41) BRAFAURKARPS6KB1PDPK1AURKB
SCHEMBL9932910 0.75 BRAF (0.47) BRAFAURKARPS6KB1PDPK1AURKB
SCHEMBL9932670 0.74 EGFR (0.42) BRAFAURKANPC1RAB9AAURKB

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 3628/4885AURKA 1004/4885

“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.