SCHEMBL29314666

SCHEMBL29314666

N#Cc1ccc(C(=O)NCCn2cc3c(n2)c(N)nc2cc(-c4cc[nH]n4)ccc23)nc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.35
MAPT P10636 2/20 0.34
SCN9A Q15858 4/20 0.33
CFTR P13569 1/20 0.33
AR P10275 2/20 0.33
GSK3B P49841 1/20 0.32
BACE1 P56817 3/20 0.32
BACE2 Q9Y5Z0 3/20 0.32
TRPA1 O75762 1/20 0.32
NAMPT P43490 1/20 0.32
LRRK2 Q5S007 1/20 0.32
TLR8 Q9NR97 2/20 0.32
TLR7 Q9NYK1 2/20 0.32

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
SCHEMBL29314678 0.89 MAOB (0.38) EGLN1MAPTNAMPTTLR8TLR7
SCHEMBL29314715 0.89 MAPT (0.36) EGLN1MAPTCFTRNAMPTTLR8
SCHEMBL30539908 0.89 NAMPT (0.37) MAPTSCN9ANAMPTTLR8TLR7
SCHEMBL23037521 0.89 NAMPT (0.37) MAPTSCN9ANAMPTTLR8TLR7
SCHEMBL29314661 0.87 CFTR (0.40) MAPTCFTRBACE1BACE2NAMPT
SCHEMBL29314664 0.87 SCN9A (0.39) SCN9A
SCHEMBL29314683 0.86 ADORA3 (0.35) MAPTNAMPTTLR8TLR7
SCHEMBL29314671 0.86 BACE1 (0.35) MAPTSCN9ABACE1BACE2NAMPT
SCHEMBL29314648 0.86 TLR8 (0.34) MAPTNAMPTTLR8TLR7
SCHEMBL29320279 0.86 KDM4E (0.38) CFTRTLR8TLR7

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 EGLN1 789/4885MAPT 1593/4885SCN9A 3237/4885

“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.