SCHEMBL20762168

SCHEMBL20762168

COc1ccc(Cn2c(CN3CCCC3=O)nc3c(N)nc4cc(-c5cccs5)ccc4c32)cc1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 6/20 0.78
▸ TLR7 Q9NYK1 12/20 0.46
▸ TLR8 Q9NR97 4/20 0.40
▸ KCNH2 Q12809 1/20 0.39

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
SCHEMBL20760756 0.88 NLRP3 (1.00) NLRP3TLR7TLR8KCNH2
SCHEMBL30815813 0.88 NLRP3 (1.00) NLRP3TLR7TLR8KCNH2
SCHEMBL20761668 0.85 NLRP3 (0.82) NLRP3TLR7TLR8KCNH2
SCHEMBL30842218 0.84 NLRP3 (0.54) NLRP3TLR7TLR8KCNH2
SCHEMBL20475982 0.84 NLRP3 (0.54) NLRP3TLR7TLR8KCNH2
SCHEMBL20761531 0.74 NLRP3 (0.88) NLRP3
SCHEMBL21550197 0.73 NLRP3 (0.73) NLRP3TLR7TLR8KCNH2
SCHEMBL20761645 0.73 TLR7 (0.45) NLRP3TLR7TLR8
SCHEMBL22814393 0.71 NLRP3 (0.69) NLRP3TLR7TLR8KCNH2
SCHEMBL20760567 0.70 NLRP3 (0.69) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067649-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2024-02-29 — — US disclosed
US-20240067649-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2024-02-29 — — US disclosed
US-11827632-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC (US) 2023-11-28 — — US disclosed
US-11827632-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC (US) 2023-11-28 — — US disclosed
EP-3753938-A1 SUBSTITUTED IMIDAZO-QUINOLINES AS NLRP3 MODULATORS Innate Tumor Immunity, Inc. (US) 2020-12-23 — — EP disclosed
US-20200157096-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2020-05-21 — — US disclosed
US-20190055236-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY, INC. 2019-02-21 — — 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 (4 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-11827632-B2 NLRP3 modulators NLRP3, NLRP1, NOD1 NLRP3 1/4885TLR7 34/4885TLR8 47/4885
US-20190055236-A1 NLRP3 MODULATORS NLRP3, NLRP1, NOD1 NLRP3 1/4885TLR7 34/4885TLR8 47/4885
US-20200157096-A1 NLRP3 MODULATORS NLRP3, NLRP1, NOD1 NLRP3 1/4885TLR7 34/4885TLR8 47/4885
US-20240067649-A1 NLRP3 MODULATORS NLRP3, NLRP1, NOD1 NLRP3 1/4885TLR7 34/4885TLR8 47/4885

“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.

Send feedback