SCHEMBL29314609

SCHEMBL29314609

Nc1nc2cc(-c3cc[nH]n3)ccc2c2cn(CCCc3cccnc3)nc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.42
TLR8 Q9NR97 1/20 0.42
ACP1 P24666 2/20 0.33
NOS1 P29475 2/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
CYP2A6 P11509 1/20 0.32
MPO P05164 1/20 0.32
GRM2 Q14416 1/20 0.32
TBXAS1 P24557 2/20 0.32
PTAFR P25105 2/20 0.32
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
HRH1 P35367 2/20 0.31
DHFR P00374 1/20 0.31
BACE1 P56817 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
SCHEMBL29314851 0.89 ADORA3 (0.36) TLR7TLR8NOS1NOS3NOS2
SCHEMBL29314742 0.87 TLR8 (0.36) TLR7TLR8NOS1NOS3NOS2
SCHEMBL29314566 0.87 TLR8 (0.41) TLR7TLR8NOS1NOS2DHFR
SCHEMBL23037627 0.83 TLR8 (0.47) TLR7TLR8MPO
SCHEMBL30539860 0.82 TLR7 (0.46) TLR7TLR8DHFR
SCHEMBL23037675 0.82 TLR7 (0.46) TLR7TLR8DHFR
SCHEMBL23037723 0.82 TLR8 (0.47) TLR7TLR8MPO
SCHEMBL23037577 0.81 TLR8 (0.43) TLR7TLR8NOS1NOS3MPO
SCHEMBL29320261 0.80 TLR8 (0.39) TLR7TLR8
SCHEMBL23037701 0.80 TLR8 (0.49) TLR7TLR8

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 210/4885ACP1 4030/4885

“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.