SCHEMBL29322768

SCHEMBL29322768

CCn1cc2c(n1)c(N)nc1cc(-c3ccn[nH]3)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 7/20 0.53
TLR8 Q9NR97 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
COMT P21964 1/20 0.44
JAK2 O60674 1/20 0.41
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
AKT1 P31749 1/20 0.35
ALOX5 P09917 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
MAT2A P31153 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
MTOR P42345 1/20 0.35
PIK3CG P48736 1/20 0.35
NOTUM Q6P988 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL29322759 0.91 TLR8 (0.53) NLRP3TLR8TLR7COMTJAK2
SCHEMBL29322746 0.90 TLR8 (0.60) NLRP3TLR8TLR7COMTJAK2
SCHEMBL29322799 0.88 NLRP3 (0.48) NLRP3TLR8TLR7JAK2NPC1
SCHEMBL29322786 0.87 NLRP3 (0.48) NLRP3TLR8TLR7COMTJAK2
SCHEMBL29325663 0.86 NLRP3 (0.47) NLRP3TLR8TLR7JAK2NPC1
SCHEMBL29325656 0.86 NLRP3 (0.49) NLRP3TLR8TLR7JAK2
SCHEMBL29322740 0.86 NLRP3 (0.47) NLRP3TLR8TLR7JAK2NPC1
SCHEMBL29322795 0.86 NLRP3 (0.46) NLRP3TLR8TLR7JAK2NPC1
SCHEMBL29322792 0.85 NLRP3 (0.49) NLRP3TLR8TLR7JAK2AKT1
SCHEMBL29315292 0.85 NLRP3 (0.49) NLRP3TLR8TLR7JAK2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037344-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC (US) 2024-07-16 US 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-12037344-B2 NLRP3 modulators NLRP3, NLRP1, PYCARD NLRP3 1/4885TLR8 210/4885TLR7 236/4885

“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.