SCHEMBL29322740

SCHEMBL29322740

COCCn1cc2c(n1)c(N)nc1cc(-c3ccn[nH]3)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 7/20 0.47
TLR7 Q9NYK1 2/20 0.45
TLR8 Q9NR97 1/20 0.45
JAK2 O60674 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SCN4A P35499 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ADORA3 P0DMS8 2/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
AKT1 P31749 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33

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
SCHEMBL29322786 0.90 NLRP3 (0.48) NLRP3TLR7TLR8JAK2NPC1
SCHEMBL29322759 0.89 TLR8 (0.53) NLRP3TLR7TLR8JAK2NPC1
SCHEMBL29322746 0.88 TLR8 (0.60) NLRP3TLR7TLR8JAK2NPC1
SCHEMBL29322799 0.88 NLRP3 (0.48) NLRP3TLR7TLR8JAK2NPC1
SCHEMBL29322768 0.86 NLRP3 (0.53) NLRP3TLR7TLR8JAK2NPC1
SCHEMBL29314845 0.85 NLRP3 (0.52) NLRP3TLR7JAK2NPC1RAB9A
SCHEMBL29315292 0.84 NLRP3 (0.49) NLRP3TLR7TLR8JAK2NPC1
SCHEMBL29322778 0.83 NLRP3 (0.47) NLRP3TLR7TLR8JAK2AKT1
SCHEMBL29325685 0.82 NLRP3 (0.49) NLRP3TLR7JAK2NPC1RAB9A
SCHEMBL29325656 0.82 NLRP3 (0.49) 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 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 1/4885TLR7 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.