SCHEMBL29322691

SCHEMBL29322691

Nc1nc2cc(-c3cc[nH]n3)ccc2c2cn(CCNC(=O)CC(F)(F)F)nc12

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
MAP4K4 O95819 1/20 0.31
NAMPT P43490 1/20 0.30
MPO P05164 1/20 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
SCHEMBL29320220 0.91 TLR8 (0.37) TLR8TLR7NAMPT
SCHEMBL29322672 0.91 TLR8 (0.33) TLR8TLR7MPO
SCHEMBL29057286 0.89 TLR7 (0.40) TLR8TLR7NAMPT
SCHEMBL29057282 0.88 TLR7 (0.42) TLR8TLR7NAMPT
SCHEMBL23037710 0.88 TLR7 (0.40) TLR8TLR7NAMPT
SCHEMBL29320192 0.87 TLR7 (0.39) TLR8TLR7NAMPT
SCHEMBL27194825 0.85 NLRP3 (0.37) TLR8TLR7
SCHEMBL29320204 0.85 TLR7 (0.38) TLR8TLR7NAMPT
SCHEMBL30539846 0.85 TLR8 (0.38) TLR8TLR7NAMPT
SCHEMBL23037589 0.85 TLR8 (0.38) TLR8TLR7NAMPT

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-12037344-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC (US) 2024-07-16 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-12037344-B2 NLRP3 modulators NLRP3, NLRP1, PYCARD TLR8 210/4885TLR7 236/4885MAP4K4 2159/4885

“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.