SCHEMBL29314735

SCHEMBL29314735

Nc1nc2cc(-c3cc[nH]n3)ccc2c2cn(CCNCc3cccc(F)c3)nc12

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.37
ADORA2A P29274 2/20 0.37
NOS1 P29475 3/20 0.36
APP P05067 2/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
MAP4K4 O95819 4/20 0.35
CDC7 O00311 1/20 0.34
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
VSIR Q9H7M9 1/20 0.32

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
SCHEMBL29314737 0.91 TLR7 (0.43) ADORA3ADORA2ATLR8TLR7MAP4K4
SCHEMBL29314742 0.87 TLR8 (0.36) NOS1TLR8TLR7MAP4K4NOS3
SCHEMBL29314736 0.86 TLR7 (0.36) ADORA3ADORA2AAPPTLR8TLR7
SCHEMBL29321163 0.84 ROCK1 (0.38) ADORA3ADORA2AAPPTLR8TLR7
SCHEMBL29314687 0.83 NAMPT (0.39) ADORA3ADORA2ATLR8TLR7MAP4K4
SCHEMBL23037575 0.83 TLR8 (0.41) ADORA3ADORA2ANOS1TLR8TLR7
SCHEMBL30539889 0.83 TLR8 (0.41) ADORA3ADORA2ANOS1TLR8TLR7
SCHEMBL29314743 0.83 TLR8 (0.39) ADORA3ADORA2ANOS1TLR8TLR7
SCHEMBL29314557 0.82 TLR8 (0.41) ADORA3ADORA2ATLR8TLR7MAP4K4
SCHEMBL23037637 0.81 TLR8 (0.43) ADORA3ADORA2ATLR8TLR7ADORA1

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 ADORA3 956/4885ADORA2A 459/4885NOS1 309/4885

“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.