SCHEMBL21733017

SCHEMBL21733017

N#CC1CN(Cc2nc3c(N)nc4cc(-c5cc[nH]n5)ccc4c3n2C2CC2)C1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 8/20 0.38
TLR7 Q9NYK1 10/20 0.35
TLR8 Q9NR97 6/20 0.35
JAK1 P23458 5/20 0.34
TYK2 P29597 6/20 0.33
NLRP3 Q96P20 1/20 0.31
JAK2 O60674 5/20 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
SCHEMBL21732903 0.90 TLR7 (0.35) JAK3TLR7TLR8JAK1TYK2
SCHEMBL21733014 0.90 TLR7 (0.34) TLR7TLR8NLRP3
SCHEMBL21732873 0.88 TLR7 (0.35) JAK3TLR7TLR8NLRP3
SCHEMBL21732872 0.88 NLRP3 (0.35) TLR7TLR8JAK1NLRP3JAK2
SCHEMBL21732874 0.86 TLR7 (0.33) TLR7TLR8JAK1NLRP3JAK2
SCHEMBL21733018 0.86 TLR7 (0.39) TLR7TLR8JAK1NLRP3
SCHEMBL21732900 0.85 GRM2 (0.34) TLR7TLR8JAK1NLRP3JAK2
SCHEMBL21732875 0.82 TLR7 (0.33) TLR7TLR8JAK1NLRP3JAK2
SCHEMBL21733010 0.81 JAK2 (0.42) JAK3TLR7TLR8JAK1NLRP3
SCHEMBL21733007 0.81 TLR7 (0.37) TLR7TLR8JAK1NLRP3JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210308123-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2021-10-07 US 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 (1 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-20210308123-A1 NLRP3 MODULATORS NLRP3, NLRP1, PYCARD JAK3 3941/4885TLR7 236/4885TLR8 210/4885

“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.