SCHEMBL23917055

SCHEMBL23917055

Nc1nc2cc(-c3cc[nH]n3)ccc2c2c1nc(CCNC(=O)c1ccc(F)cn1)n2CC(F)F

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 19/20 0.39
TLR8 Q9NR97 8/20 0.39
NAMPT P43490 1/20 0.36

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
SCHEMBL23916900 0.90 TLR7 (0.39) TLR7TLR8
SCHEMBL21735576 0.89 NAMPT (0.37) TLR7TLR8NAMPT
SCHEMBL23916904 0.87 TLR7 (0.40) TLR7TLR8
SCHEMBL21735572 0.86 JAK1 (0.38) TLR7TLR8NAMPT
SCHEMBL21735567 0.86 JAK1 (0.39) TLR7TLR8NAMPT
SCHEMBL23917058 0.80 TLR7 (0.39) TLR7TLR8
SCHEMBL23916910 0.79 CFTR (0.38) TLR7TLR8
SCHEMBL30539908 0.79 NAMPT (0.37) TLR7TLR8NAMPT
SCHEMBL23037521 0.79 NAMPT (0.37) TLR7TLR8NAMPT
SCHEMBL29325305 0.78 NAMPT (0.42) NAMPT

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-20210317118-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2021-10-14 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-20210317118-A1 NLRP3 MODULATORS NLRP3, NLRP1, PYCARD TLR7 236/4885TLR8 210/4885NAMPT 122/4885

“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.