SCHEMBL29314607

SCHEMBL29314607

Nc1nc2cc(-c3cc[nH]n3)ccc2c2cn(Cc3ccccn3)nc12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 6/20 0.42
TLR7 Q9NYK1 2/20 0.39
TLR8 Q9NR97 1/20 0.39
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
ADORA3 P0DMS8 8/20 0.33
ADORA2A P29274 8/20 0.33
ADORA1 P30542 6/20 0.33
PRKCI P41743 1/20 0.33
SLC2A1 P11166 1/20 0.32
CREBBP Q92793 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
SCHEMBL29314846 0.91 TLR7 (0.41) ADORA2BTLR7TLR8NOS3NOS1
SCHEMBL29314743 0.87 TLR8 (0.39) ADORA2BTLR7TLR8NOS3NOS1
SCHEMBL29314853 0.84 NOS3 (0.35) TLR7TLR8NOS3NOS1
SCHEMBL23037652 0.84 TLR8 (0.45) TLR7TLR8ADORA3ADORA2AADORA1
SCHEMBL29314847 0.83 ADORA2A (0.36) TLR7TLR8ADORA3ADORA2AADORA1
SCHEMBL23037673 0.83 TLR8 (0.40) TLR7TLR8ADORA3ADORA2AADORA1
SCHEMBL30539884 0.83 TLR8 (0.40) TLR7TLR8ADORA3ADORA2AADORA1
SCHEMBL29314851 0.82 ADORA3 (0.36) TLR7TLR8NOS3NOS1NOS2
SCHEMBL29314611 0.82 HPGD (0.36) TLR7TLR8
SCHEMBL29314861 0.81 NOS1 (0.36) ADORA2BTLR7TLR8NOS1ADORA3

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 ADORA2B 1785/4885TLR7 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.