SCHEMBL21724877

SCHEMBL21724877

CC(C)(C)OC(=O)NCCc1nc2cnc3cc(Br)ccc3c2n1C1CCC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 19/20 0.50
JAK2 O60674 11/20 0.48
TYK2 P29597 9/20 0.48
JAK3 P52333 9/20 0.48
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OGFRL1 Q5TC84 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
SCHEMBL21724518 0.87 JAK1 (0.53) JAK1JAK2TYK2JAK3
SCHEMBL21724451 0.85 TLR7 (0.42) JAK1JAK2TYK2JAK3OPRM1
SCHEMBL23910159 0.84 JAK1 (0.40) JAK1JAK2TYK2JAK3OPRM1
SCHEMBL30777927 0.84 JAK1 (0.40) JAK1JAK2TYK2JAK3OPRM1
SCHEMBL1233687 0.78 DYRK1A (0.40) JAK1JAK2TYK2JAK3
SCHEMBL28580870 0.78 JAK1 (0.35) JAK1JAK2TYK2JAK3
SCHEMBL1233021 0.77 DYRK1A (0.45) JAK1JAK2TYK2JAK3
SCHEMBL4758727 0.76 EGFR (0.38) JAK1JAK2TYK2JAK3
SCHEMBL22336631 0.74 TLR7 (0.40)
SCHEMBL23037677 0.73 NQO2 (0.39)

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 JAK1 2951/4885JAK2 3101/4885TYK2 2810/4885
US-20210317118-A1 NLRP3 MODULATORS NLRP3, NLRP1, PYCARD JAK1 2951/4885JAK2 3101/4885TYK2 2810/4885

“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.