SCHEMBL13855005

SCHEMBL13855005

Cn1nc(-c2ccc(F)c(OCCO)c2)c2cc(N)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.41
TLR7 Q9NYK1 8/20 0.40
TLR9 Q9NR96 7/20 0.40
TLR8 Q9NR97 7/20 0.40
DCK P27707 1/20 0.37
SCN9A Q15858 3/20 0.36
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
NAMPT P43490 2/20 0.35
TTR P02766 1/20 0.35
PIK3CD O00329 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
HCK P08631 1/20 0.34
SRC P12931 1/20 0.34
KDR P35968 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34

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
SCHEMBL13854997 0.90 LSS (0.40) LSSTLR7TLR9TLR8SCN9A
SCHEMBL13855004 0.82 L3MBTL1 (0.56)
SCHEMBL13855003 0.81 TLR7 (0.48) LSSTLR7TLR9TLR8SCN9A
SCHEMBL3152170 0.81 ALOX5AP (0.36) LSSTLR7TLR9TLR8DCK
SCHEMBL13855001 0.77 LSS (0.36) LSSTLR7TLR9TLR8SCN9A
SCHEMBL13354962 0.75 MAPK14 (0.47) LSSSCN9ANAMPTKDM4E
SCHEMBL21644426 0.75 ALOX5AP (0.43) DCKALOX5APFEN1EGFRKDM4E
SCHEMBL13854974 0.73 L3MBTL1 (0.38) LSSTLR7TLR9TLR8SCN9A
SCHEMBL13854996 0.73 L3MBTL1 (0.55) SCN9A
SCHEMBL13997167 0.73 EGFR (0.35) TLR7TLR9TLR8SCN9APIK3CD

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-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 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-20090118284-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPK10 LSS 2027/4885TLR7 3354/4885TLR9 4500/4885

“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.