SCHEMBL11971840

SCHEMBL11971840

CN(C(=O)Nc1c(F)ccc(C(N)=O)c1F)c1ccncn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.44
LCK P06239 4/20 0.36
FGFR4 P22455 1/20 0.33
JAK2 O60674 1/20 0.32
HTT P42858 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CSF1R P07333 3/20 0.32
TGFBR1 P36897 1/20 0.32
RPS6KB1 P23443 2/20 0.31
AKT1 P31749 1/20 0.31
PIM1 P11309 1/20 0.31
BAD Q92934 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
MAP2K2 P36507 1/20 0.31
MAP2K1 Q02750 1/20 0.31
SIRT3 Q9NTG7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL11971843 0.86 BRAF (0.48) BRAFLCKFGFR4HTTLMNA
SCHEMBL11992425 0.75 BRAF (0.74) BRAF
SCHEMBL9932007 0.74 BRAF (0.38) BRAFLCKRPS6KB1
SCHEMBL9932667 0.74 JAK1 (0.40) BRAFJAK2CSF1R
SCHEMBL28894969 0.70 PTK2 (0.44) JAK2SMN1; SMN2RPS6KB1PIM1MAP2K2
SCHEMBL29382234 0.70 P2RX7 (0.41) JAK2HTTLMNASIRT3TDP1
SCHEMBL20081809 0.68 FGFR4 (0.55) BRAFLCKFGFR4JAK2
SCHEMBL13627914 0.65 P2RX7 (0.38) BRAFHTTLMNASMN1; SMN2P2RX7
SCHEMBL29006799 0.65 HSP90AA1 (0.39) JAK2P2RX7
SCHEMBL30641938 0.65 MAP2K2 (0.40) JAK2PIM1BADPIM2MAP2K2

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-20120214811-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. 2012-08-23 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-20120214811-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF BRAF 1/4885LCK 332/4885FGFR4 600/4885

“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.