SCHEMBL29314685

SCHEMBL29314685

Cc1nc(C(=O)NCCn2cc3c(n2)c(N)nc2cc(-c4cc[nH]n4)ccc23)co1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.34
TLR7 Q9NYK1 5/20 0.34
PAICS P22234 3/20 0.32
TLR9 Q9NR96 4/20 0.32
NAMPT P43490 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.30
CSNK1D P48730 1/20 0.30
CSNK1E P49674 1/20 0.30
ABL1 P00519 1/20 0.30
BCR P11274 1/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 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
SCHEMBL26783757 0.94 PAICS (0.32) TLR8TLR7PAICSTLR9NAMPT
SCHEMBL29314867 0.91 PAICS (0.33) TLR8TLR7PAICSNAMPT
SCHEMBL29314637 0.88 TLR7 (0.35) TLR8TLR7NAMPTCSNK1DCSNK1E
SCHEMBL29314642 0.87 TLR8 (0.36) TLR8TLR7NAMPTIRAK4ABL1
SCHEMBL29314635 0.87 TLR8 (0.33) TLR8TLR7NAMPT
SCHEMBL29314648 0.86 TLR8 (0.34) TLR8TLR7NAMPT
SCHEMBL29314640 0.86 SMN1; SMN2 (0.35) TLR8TLR7NAMPTABL1BCR
SCHEMBL29314715 0.86 MAPT (0.36) TLR8TLR7NAMPTABL1BCR
SCHEMBL29314633 0.86 HIF1A (0.36) TLR8TLR7NAMPTABL1BCR
SCHEMBL23037710 0.86 TLR7 (0.40) TLR8TLR7NAMPT

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 TLR8 210/4885TLR7 236/4885PAICS 4513/4885

“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.