SCHEMBL9932477

SCHEMBL9932477

Cc1oc2ncnc(NC(=O)Nc3c(F)ccc(N)c3F)c2c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.41
AURKB Q96GD4 4/20 0.41
AURKA O14965 3/20 0.41
NOTUM Q6P988 1/20 0.37
CDK19 Q9BWU1 2/20 0.36
KDR P35968 3/20 0.35
TEK Q02763 2/20 0.35
EGFR P00533 2/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 2/20 0.33
XIAP P98170 1/20 0.33
BIRC2 Q13490 1/20 0.33
FLT1 P17948 2/20 0.32
MAPT P10636 1/20 0.32
PLK4 O00444 1/20 0.32
MAPK13 O15264 1/20 0.32
DYRK3 O43781 1/20 0.32
ROCK2 O75116 1/20 0.32
MAP4K4 O95819 1/20 0.32
NTRK1 P04629 1/20 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
SCHEMBL9932533 0.90 LMNA (0.38) BRAFAURKBAURKANOTUMCDK19
SCHEMBL9932473 0.88 BRAF (0.40) BRAFAURKBAURKANOTUMCDK19
SCHEMBL9967970 0.79 BRAF (0.66) BRAF
SCHEMBL9932392 0.79 SMN1; SMN2 (0.47) KDRTEKLMNAFLT1MAPT
SCHEMBL9932530 0.78 LMNA (0.37) BRAFAURKBAURKANOTUMCDK19
SCHEMBL9932228 0.76 BRAF (0.67) BRAFKDRTEKFLT1
SCHEMBL9932914 0.75 BRAF (0.49) BRAFKDREGFRFLT1LCK
SCHEMBL9931500 0.74 BRAF (0.47) BRAFAURKBEGFRMKNK2
SCHEMBL9932549 0.72 BRAF (0.41) BRAFKDRTEKEGFRFLT1
SCHEMBL9932406 0.71 BRAF (0.42) BRAFFLT3

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 1/4885AURKB 825/4885AURKA 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.