SCHEMBL9932224

SCHEMBL9932224

COc1n[nH]c2ncnc(NC(=O)Nc3c(F)ccc(C(N)=O)c3F)c12

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.65
CCR4 P51679 1/20 0.39
AURKA O14965 4/20 0.37
RPS6KB1 P23443 3/20 0.37
MAPK1 P28482 8/20 0.35
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
BTK Q06187 1/20 0.33
PDPK1 O15530 1/20 0.33
CSF1R P07333 1/20 0.33
AURKB Q96GD4 1/20 0.33

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
SCHEMBL9932715 0.91 BRAF (0.59) BRAFCCR4AURKARPS6KB1MAPK1
SCHEMBL9932672 0.90 BRAF (0.54) BRAFCCR4AURKARPS6KB1MAPK1
SCHEMBL9933461 0.90 BRAF (0.59) BRAFCCR4AURKARPS6KB1MAPK1
SCHEMBL9932383 0.90 BRAF (0.59) BRAFCCR4AURKARPS6KB1MAPK1
SCHEMBL9932228 0.88 BRAF (0.67) BRAFCCR4MAPK1
SCHEMBL9933204 0.86 BRAF (0.73) BRAFCCR4MAPK1
SCHEMBL9932910 0.85 BRAF (0.47) BRAFAURKARPS6KB1PDPK1AURKB
SCHEMBL9932720 0.84 BRAF (0.62) BRAFCCR4MAPK1
SCHEMBL9932385 0.82 BRAF (0.60) BRAFCCR4MAPK1
SCHEMBL9967958 0.81 BRAF (0.89) BRAFCCR4

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 1/4885CCR4 3948/4885AURKA 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.