SCHEMBL29314867

SCHEMBL29314867

Nc1nc2cc(-c3cc[nH]n3)ccc2c2cn(CCNC(=O)c3coc(Cl)n3)nc12

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PAICS P22234 4/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
NAMPT P43490 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
SCHEMBL29314685 0.91 TLR8 (0.34) PAICSTLR8TLR7NAMPT
SCHEMBL29314706 0.89 TLR8 (0.34) TLR8TLR7NAMPT
SCHEMBL29314678 0.87 MAOB (0.38) TLR8TLR7NAMPT
SCHEMBL29320594 0.87 TLR8 (0.35) TLR8TLR7NAMPT
SCHEMBL29314635 0.87 TLR8 (0.33) TLR8TLR7NAMPT
SCHEMBL29314663 0.86 KDR (0.34) TLR8TLR7NAMPT
SCHEMBL29320279 0.86 KDM4E (0.38) TLR8TLR7
SCHEMBL29320666 0.86 TLR8 (0.33) TLR8TLR7NAMPT
SCHEMBL29314707 0.85 NAMPT (0.33) TLR8TLR7NAMPT
SCHEMBL29314683 0.85 ADORA3 (0.35) 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 PAICS 4513/4885TLR8 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.