SCHEMBL21724451

SCHEMBL21724451

CC(C)(C)OC(=O)NCCc1nc2c(N)nc3cc(Br)ccc3c2n1C1CCC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 17/20 0.42
TLR8 Q9NR97 7/20 0.41
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OGFRL1 Q5TC84 1/20 0.38
JAK1 P23458 2/20 0.38
JAK2 O60674 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37

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
SCHEMBL23916902 0.85 JAK1 (0.40) TLR7TLR8OPRM1OPRD1OPRK1
SCHEMBL21724877 0.85 JAK1 (0.50) OPRM1OPRD1OPRK1OGFRL1JAK1
SCHEMBL21724483 0.85 NLRP3 (0.55) TLR7TLR8JAK1
SCHEMBL23910159 0.79 JAK1 (0.40) OPRM1OPRD1OPRK1OGFRL1JAK1
SCHEMBL30777927 0.79 JAK1 (0.40) OPRM1OPRD1OPRK1OGFRL1JAK1
SCHEMBL22336632 0.75 TLR7 (0.52) TLR7TLR8
SCHEMBL31709368 0.75 TLR7 (0.59) TLR7TLR8
SCHEMBL31337596 0.75 TLR7 (0.59) TLR7TLR8
SCHEMBL23037686 0.74 TLR7 (0.42) TLR7TLR8
SCHEMBL30539819 0.74 TLR7 (0.42) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024513-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC. (US) 2024-07-02 US disclosed
EP-3837015-B1 IMIDAZO[4,5-C]QUINOLINE DERIVED NLRP3-MODULATORS INNATE TUMOR IMMUNITY INC (US) 2024-02-14 EP disclosed
US-20210317118-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2021-10-14 US disclosed
EP-3837015-A1 IMIDAZO[4,5-C]QUINOLINE DERIVED NLRP3-MODULATORS Innate Tumor Immunity, Inc. (US) 2021-06-23 EP disclosed
CN-112996567-A Imidazo [4,5-C ] quinoline-derived NLRP 3-modulators 先天肿瘤免疫公司 2021-06-18 CN disclosed
WO-2020037092-A1 IMIDAZO[4,5-C]QUINOLINE DERIVED NLRP3-MODULATORS INNATE TUMOR IMMUNITY, INC. (US) 2020-02-20 WO disclosed
WO-2020037092-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 (2 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-12024513-B2 NLRP3 modulators NLRP3, NLRP1, PYCARD TLR7 236/4885TLR8 210/4885OPRM1 3660/4885
US-20210317118-A1 NLRP3 MODULATORS NLRP3, NLRP1, PYCARD TLR7 236/4885TLR8 210/4885OPRM1 3660/4885

“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.