SCHEMBL23916910

SCHEMBL23916910

COc1ccc(C(=O)NCCc2nc3c(N)nc4cc(-c5cc[nH]n5)ccc4c3n2C(C)C)nc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.38
TLR7 Q9NYK1 16/20 0.38
TLR8 Q9NR97 7/20 0.37
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
TACR3 P29371 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL21735576 0.91 NAMPT (0.37) TLR7TLR8
SCHEMBL23917089 0.88 TLR7 (0.37) CFTRTLR7TLR8
SCHEMBL23916891 0.88 TLR7 (0.38) CFTRTLR7TLR8
SCHEMBL21735570 0.86 JAK1 (0.40) CFTRTLR7TLR8
SCHEMBL23917097 0.85 TLR7 (0.36) TLR7TLR8
SCHEMBL23916913 0.81 TLR7 (0.36) TLR7TLR8
SCHEMBL29314661 0.80 CFTR (0.40) CFTRTLR7TLR8MAPT
SCHEMBL23917055 0.79 TLR7 (0.39) TLR7TLR8
SCHEMBL26783893 0.78 CFTR (0.40) CFTRMAPTTACR3MEN1KMT2A
SCHEMBL23917096 0.78 KDM4E (0.39) TLR7TLR8MAPTMEN1KMT2A

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 CFTR 197/4885TLR7 236/4885TLR8 210/4885

“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.