SCHEMBL23855097

SCHEMBL23855097

N#Cc1ncc(N2C[C@@H](CO)O[C@@H](C(F)(F)F)C2)c2cccnc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.42
GRM1 Q13255 1/20 0.33
ELANE P08246 3/20 0.33
KCNMA1 Q12791 3/20 0.31
TLR9 Q9NR96 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
USP30 Q70CQ3 1/20 0.30
SCN10A Q9Y5Y9 2/20 0.30

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
SCHEMBL21661233 1.00 TLR8 (0.42) TLR8GRM1ELANEKCNMA1TLR9
SCHEMBL21661231 1.00 TLR8 (0.42) TLR8GRM1ELANEKCNMA1TLR9
SCHEMBL21645126 0.86 TLR8 (0.58) TLR8ELANETLR9TLR7
SCHEMBL21645129 0.86 TLR8 (0.58) TLR8ELANETLR9TLR7
SCHEMBL21645127 0.86 TLR8 (0.58) TLR8ELANETLR9TLR7
SCHEMBL21661048 0.85 TSHR (0.38) TLR8GRM1ELANETLR9TLR7
SCHEMBL21645078 0.85 TSHR (0.38) TLR8GRM1ELANETLR9TLR7
SCHEMBL21645169 0.85 TLR8 (0.41) TLR8GRM1ELANEKCNMA1
SCHEMBL21645176 0.85 TLR8 (0.41) TLR8GRM1ELANEKCNMA1
SCHEMBL21645173 0.85 TLR8 (0.41) TLR8GRM1ELANEKCNMA1

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-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-09-30 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-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 TLR8 2/4885GRM1 299/4885ELANE 2732/4885

“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.