SCHEMBL21724710

SCHEMBL21724710

COC1CN(Cc2nc3c(N)nc4cc(-c5ccn[nH]5)ccc4c3n2C2CCC2)C1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 8/20 0.46
PIK3CA P42336 2/20 0.37
GRM2 Q14416 1/20 0.34
TLR7 Q9NYK1 7/20 0.33
TLR8 Q9NR97 4/20 0.33
JAK2 O60674 1/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL21724666 0.86 NLRP3 (0.52) NLRP3PIK3CATLR7TLR8JAK2
SCHEMBL21732900 0.85 GRM2 (0.34) NLRP3GRM2TLR7TLR8JAK2
SCHEMBL21724477 0.84 NLRP3 (0.49) NLRP3TLR7TLR8JAK2
SCHEMBL21724254 0.83 NLRP3 (0.49) NLRP3TLR7TLR8JAK2
SCHEMBL21732873 0.81 TLR7 (0.35) NLRP3GRM2TLR7TLR8
SCHEMBL21724880 0.80 NLRP3 (0.45) NLRP3TLR7TLR8
SCHEMBL21724483 0.76 NLRP3 (0.55) NLRP3TLR7TLR8
SCHEMBL21732874 0.74 TLR7 (0.33) NLRP3GRM2TLR7TLR8JAK2
SCHEMBL26785470 0.72 NLRP3 (0.47) NLRP3PIK3CATLR7TLR8JAK2
SCHEMBL21733010 0.70 JAK2 (0.42) NLRP3TLR7TLR8JAK2

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 6 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
CN-113038989-A Imidazo [4,5-C ] quinoline-derived NLRP3 modulators 先天肿瘤免疫公司 2021-06-25 CN 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 NLRP3 1/4885PIK3CA 2311/4885GRM2 1735/4885
US-20210308123-A1 NLRP3 MODULATORS NLRP3, NLRP1, PYCARD NLRP3 1/4885PIK3CA 2311/4885GRM2 1735/4885

“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.