SCHEMBL21724405

SCHEMBL21724405

[O-][n+]1cc2nc(COCc3ccccc3)n(C3CCC3)c2c2ccc(Br)cc21

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HTR3A P46098 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
SCHEMBL28590771 0.89 JAK2 (0.32) JAK2JAK1TYK2JAK3L3MBTL1
SCHEMBL21724622 0.81 JAK1 (0.38) JAK2JAK1TYK2JAK3
SCHEMBL21724911 0.76 TLR7 (0.46)
SCHEMBL30777927 0.73 JAK1 (0.40) JAK2JAK1TYK2JAK3
SCHEMBL19475365 0.71 TLR7 (0.42) L3MBTL1
SCHEMBL20741457 0.67 TLR7 (0.36) L3MBTL1
SCHEMBL2368324 0.64 TLR7 (0.38)
SCHEMBL29091281 0.64 ALDH1A1 (0.37) L3MBTL1
SCHEMBL30598858 0.64 ALDH1A1 (0.37) L3MBTL1
SCHEMBL1775250 0.64

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12201627-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC. (US) 2025-01-21 US disclosed
EP-3837014-B1 IMIDAZO[4,5-C]QUINOLINE DERIVED NLRP3-MODULATORS INNATE TUMOR IMMUNITY INC (US) 2022-10-19 EP disclosed
US-20210308123-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2021-10-07 US disclosed
EP-3837014-A1 IMIDAZO[4,5-C]QUINOLINE DERIVED NLRP3-MODULATORS Innate Tumor Immunity, Inc. (US) 2021-06-23 EP 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 (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-12201627-B2 NLRP3 modulators NLRP3, NLRP1, PYCARD JAK2 3101/4885JAK1 2951/4885TYK2 2810/4885
US-20210308123-A1 NLRP3 MODULATORS NLRP3, NLRP1, PYCARD JAK2 3101/4885JAK1 2951/4885TYK2 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.