SCHEMBL29315829

SCHEMBL29315829

CCC(Cn1cc2c(N)nc3cc(-c4cc[nH]n4)ccc3c2n1)OC

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.32
TLR7 Q9NYK1 2/20 0.31
TLR8 Q9NR97 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
SCHEMBL23037703 0.92 NLRP3 (0.30) NLRP3
SCHEMBL26788242 0.92 NLRP3 (0.30) NLRP3
SCHEMBL23037704 0.92 NLRP3 (0.30) NLRP3
SCHEMBL26786365 0.89 NLRP3 (0.33) NLRP3TLR7
SCHEMBL29315921 0.89 TLR7 (0.34) NLRP3TLR7TLR8
SCHEMBL29314387 0.89 TLR7 (0.34) NLRP3TLR7TLR8
SCHEMBL29315100 0.88 NLRP3 (0.33) NLRP3TLR7TLR8
SCHEMBL26781338 0.88 NLRP3 (0.33) NLRP3TLR7TLR8
SCHEMBL26786843 0.88 NLRP3 (0.33) NLRP3TLR7TLR8
SCHEMBL26789833 0.87 TLR7 (0.37) NLRP3TLR7TLR8

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 NLRP3 1/4885TLR7 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.