SCHEMBL12413879

SCHEMBL12413879

Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(C(F)(F)F)cc(Cl)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 9/20 0.46
BRAF P15056 6/20 0.42
RAF1 P04049 3/20 0.42
KDR P35968 4/20 0.42
STK25 O00506 1/20 0.41
CIT O14578 1/20 0.41
EPHB6 O15197 1/20 0.41
MAP3K7 O43318 1/20 0.41
RIPK2 O43353 1/20 0.41
PAK3 O75914 1/20 0.41
STK10 O94804 1/20 0.41
MAP4K4 O95819 1/20 0.41
ABL1 P00519 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
CSF1R P07333 1/20 0.41
YES1 P07947 1/20 0.41
LYN P07948 1/20 0.41
RET P07949 1/20 0.41
MET P08581 1/20 0.41

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
SCHEMBL12413884 0.94 PTGES (0.42) PTGESBRAFRAF1KDRCYP2D6
SCHEMBL12413902 0.89 PTGES (0.42) PTGESBRAFMETCYP2D6GAA
SCHEMBL12377296 0.85 EGFR (0.48) PTGESBRAFKDRDHODHEGFR
SCHEMBL12377281 0.79 P2RX3 (0.44) BRAFKDREGFR
SCHEMBL12413882 0.78 BRAF (0.50) BRAFRAF1KDRSTK25CIT
SCHEMBL12412030 0.77 NPC1 (0.44) GAA
SCHEMBL12412022 0.77 NPC1 (0.55) GAA
SCHEMBL12413900 0.77 NPC1 (0.49) METGAA
SCHEMBL5356773 0.76 BRAF (0.46) BRAFRAF1KDR
SCHEMBL12377297 0.76 HSD17B10 (0.43) BRAFKDRMETEGFRGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989422-B2 Antibacterial agents ALCHEMIA LIMITED (AU) 2011-08-02 US disclosed
US-20090023669-A1 Antibacterial Agents ALCHEMIA LIMITED (AU) 2009-01-22 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-20090023669-A1 Antibacterial Agents MRPL21, FUT6, FUT5 PTGES 1486/4885BRAF 4554/4885RAF1 3821/4885

“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.