SCHEMBL29314853

SCHEMBL29314853

Nc1nc2cc(-c3cc[nH]n3)ccc2c2cn(Cc3cscn3)nc12

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34

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
SCHEMBL26786746 0.93 NOS3 (0.35) NOS3NOS1
SCHEMBL29314607 0.84 ADORA2B (0.42) NOS3NOS1TLR8TLR7
SCHEMBL29314847 0.81 ADORA2A (0.36) TLR8TLR7
SCHEMBL29314861 0.81 NOS1 (0.36) NOS1TLR8TLR7
SCHEMBL23037577 0.80 TLR8 (0.43) NOS3NOS1TLR8TLR7
SCHEMBL29314717 0.80 ADORA3 (0.35) TLR8TLR7
SCHEMBL26786698 0.79 ADORA2B (0.33)
SCHEMBL29315565 0.79 TLR7 (0.38) TLR8TLR7
SCHEMBL23037627 0.79 TLR8 (0.47) TLR8TLR7
SCHEMBL29314864 0.78 TLR8 (0.38) TLR8TLR7

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 NOS3 501/4885NOS1 309/4885TLR8 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.