SCHEMBL29315550

SCHEMBL29315550

CN(CCO)C(=O)Cn1cc2c(n1)c(N)nc1cc(-c3cc[nH]n3)ccc12

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.34
TLR8 Q9NR97 3/20 0.34
NLRP3 Q96P20 6/20 0.33
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
BTK Q06187 1/20 0.30
CCNC P24863 2/20 0.30
CDK8 P49336 2/20 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
SCHEMBL29315537 0.92 TLR7 (0.33) TLR7TLR8NLRP3ADORA3ADORA2A
SCHEMBL29315533 0.84 MPO (0.38) TLR7TLR8NLRP3ADORA3ADORA2A
SCHEMBL23037726 0.84 TLR8 (0.39) TLR7TLR8NLRP3ADORA3ADORA2A
SCHEMBL30539815 0.84 TLR8 (0.39) TLR7TLR8NLRP3ADORA3ADORA2A
SCHEMBL26781950 0.83 CCNC (0.36) NLRP3BTKCCNCCDK8
SCHEMBL29314604 0.82 TLR8 (0.43) TLR7TLR8NLRP3ADORA3ADORA2A
SCHEMBL29314416 0.81 TLR7 (0.37) TLR7TLR8NLRP3
SCHEMBL29315507 0.81 TLR7 (0.35) TLR7TLR8ADORA3ADORA2AADORA1
SCHEMBL27194822 0.81 TLR8 (0.42) TLR7TLR8NLRP3ADORA3ADORA2A
SCHEMBL30539860 0.81 TLR7 (0.46) TLR7TLR8NLRP3ADORA3ADORA2A

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

“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.