SCHEMBL29314717

SCHEMBL29314717

Nc1nc2cc(-c3cc[nH]n3)ccc2c2cn(CCNC(=O)c3cscn3)nc12

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.35
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
NAMPT P43490 1/20 0.32
MAP3K5 Q99683 1/20 0.31
CSNK1D P48730 1/20 0.30
CSNK1E P49674 1/20 0.30
MAP4K4 O95819 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
SCHEMBL29320279 0.88 KDM4E (0.38) ADORA3TLR8TLR7
SCHEMBL29314696 0.88 BACE1 (0.38) ADORA3
SCHEMBL29314706 0.87 TLR8 (0.34) TLR8TLR7NAMPTMAP4K4
SCHEMBL29314633 0.87 HIF1A (0.36) TLR8TLR7HDAC3HDAC1NAMPT
SCHEMBL29314651 0.87 NAMPT (0.36) TLR8TLR7HDAC3HDAC1NAMPT
SCHEMBL29314656 0.87 KLKB1 (0.33) TLR8TLR7NAMPTMAP4K4
SCHEMBL29314663 0.87 KDR (0.34) TLR8TLR7NAMPT
SCHEMBL29314704 0.87 NAMPT (0.35) TLR8TLR7NAMPTMAP4K4
SCHEMBL29314683 0.86 ADORA3 (0.35) ADORA3TLR8TLR7NAMPTCSNK1D
SCHEMBL29320672 0.85 TLR8 (0.37) ADORA3TLR8TLR7NAMPTMAP4K4

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 956/4885TLR8 210/4885TLR7 236/4885

“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.