SCHEMBL21733013

SCHEMBL21733013

CC(C)n1c(CN2CC(C)(O)C2)nc2c(N)nc3cc(-c4cc[nH]n4)ccc3c21

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 17/20 0.39
TLR8 Q9NR97 10/20 0.36
NLRP3 Q96P20 3/20 0.33
NUDT1 P36639 1/20 0.31

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
SCHEMBL21732904 0.84 TLR7 (0.37) TLR7TLR8NLRP3NUDT1
SCHEMBL21733018 0.84 TLR7 (0.39) TLR7TLR8NLRP3
SCHEMBL23899695 0.78 TLR7 (0.43) TLR7TLR8NLRP3
SCHEMBL21732875 0.76 TLR7 (0.33) TLR7TLR8NLRP3
SCHEMBL23916913 0.74 TLR7 (0.36) TLR7TLR8NLRP3
SCHEMBL23916871 0.74 TLR7 (0.39) TLR7TLR8NLRP3
SCHEMBL23916804 0.74 TLR7 (0.39) TLR7TLR8NLRP3
SCHEMBL29036550 0.73 TLR7 (0.33) TLR7
SCHEMBL23917089 0.73 TLR7 (0.37) TLR7TLR8
SCHEMBL23917096 0.73 KDM4E (0.39) TLR7TLR8

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-20210308123-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2021-10-07 US disclosed
WO-2020037091-A1 IMIDAZO[4,5-C]QUINOLINE DERIVED NLRP3-MODULATORS INNATE TUMOR IMMUNITY, INC. (US) 2020-02-20 WO 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-20210308123-A1 NLRP3 MODULATORS NLRP3, NLRP1, PYCARD TLR7 236/4885TLR8 210/4885NLRP3 1/4885

“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.