SCHEMBL29314736

SCHEMBL29314736

Nc1nc2cc(-c3cc[nH]n3)ccc2c2cn(CCNCc3ccc(Cl)cc3)nc12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.36
TLR8 Q9NR97 2/20 0.36
ADORA3 P0DMS8 2/20 0.34
ADORA2A P29274 2/20 0.34
APP P05067 2/20 0.31
CDC7 O00311 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
EGFR P00533 1/20 0.30
KDR P35968 1/20 0.30
ACP1 P24666 1/20 0.30
MAP4K4 O95819 1/20 0.30
CYP3A4 P08684 1/20 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
SCHEMBL29314737 0.91 TLR7 (0.43) TLR7TLR8ADORA3ADORA2ACDC7
SCHEMBL29321163 0.90 ROCK1 (0.38) TLR7TLR8ADORA3ADORA2AAPP
SCHEMBL29314742 0.86 TLR8 (0.36) TLR7TLR8MAP4K4
SCHEMBL29314735 0.86 ADORA3 (0.37) TLR7TLR8ADORA3ADORA2AAPP
SCHEMBL23037637 0.84 TLR8 (0.43) TLR7TLR8ADORA3ADORA2A
SCHEMBL30539889 0.83 TLR8 (0.41) TLR7TLR8ADORA3ADORA2ATP53
SCHEMBL23037575 0.83 TLR8 (0.41) TLR7TLR8ADORA3ADORA2ATP53
SCHEMBL29314743 0.83 TLR8 (0.39) TLR7TLR8ADORA3ADORA2ALMNA
SCHEMBL23037577 0.81 TLR8 (0.43) TLR7TLR8ADORA3ADORA2A
SCHEMBL29321148 0.81 TLR7 (0.41) TLR7TLR8ADORA3ADORA2A

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 210/4885ADORA3 956/4885

“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.