SCHEMBL9932401

SCHEMBL9932401

NC(=O)c1ccc(F)c(NC(=O)Nc2ncnc3[nH]nnc23)c1F

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.41
RPS6KB1 P23443 14/20 0.35
AURKA O14965 14/20 0.35
PDPK1 O15530 1/20 0.35
AURKB Q96GD4 5/20 0.33
AKT1 P31749 2/20 0.32

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
SCHEMBL9932406 0.86 BRAF (0.42) BRAF
SCHEMBL9932544 0.83 BRAF (0.39) BRAFRPS6KB1AURKAPDPK1AURKB
SCHEMBL9932430 0.81 BRAF (0.38) BRAFRPS6KB1AURKAPDPK1AURKB
SCHEMBL9932324 0.80 BRAF (0.61) BRAFPDPK1
SCHEMBL9932260 0.79 PARP1 (0.41) BRAFRPS6KB1AURKAPDPK1AURKB
SCHEMBL9931498 0.79 BRAF (0.46) BRAFAURKB
SCHEMBL9932910 0.78 BRAF (0.47) BRAFRPS6KB1AURKAPDPK1AURKB
SCHEMBL9933084 0.77 BRAF (0.38) BRAFRPS6KB1AURKAPDPK1AURKB
SCHEMBL9967968 0.76 BRAF (0.72) BRAF
SCHEMBL9932224 0.76 BRAF (0.65) BRAFRPS6KB1AURKAPDPK1AURKB

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 1/4885RPS6KB1 410/4885AURKA 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.