SCHEMBL29320192

SCHEMBL29320192

CC(=O)NCCn1cc2c(n1)c(N)nc1cc(-c3cc[nH]n3)ccc12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.39
TLR8 Q9NR97 1/20 0.39
MTNR1B P49286 9/20 0.35
MTNR1A P48039 8/20 0.35
NLRP3 Q96P20 3/20 0.33
NAMPT P43490 1/20 0.32
DHFR P00374 1/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
REN P00797 1/20 0.31
CYP3A4 P08684 1/20 0.31
TARS1 P26639 1/20 0.31
LTA4H P09960 1/20 0.31

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
SCHEMBL29314761 0.95 TLR7 (0.42) TLR7TLR8MTNR1BMTNR1ANLRP3
SCHEMBL26785870 0.93 NLRP3 (0.34) TLR7TLR8MTNR1BMTNR1ANLRP3
SCHEMBL23037710 0.92 TLR7 (0.40) TLR7TLR8NLRP3NAMPT
SCHEMBL29057286 0.91 TLR7 (0.40) TLR7TLR8MTNR1BMTNR1ANLRP3
SCHEMBL29320204 0.90 TLR7 (0.38) TLR7TLR8NLRP3NAMPTCYP3A4
SCHEMBL23037589 0.90 TLR8 (0.38) TLR7TLR8NLRP3NAMPT
SCHEMBL30539846 0.90 TLR8 (0.38) TLR7TLR8NLRP3NAMPT
SCHEMBL29057282 0.90 TLR7 (0.42) TLR7TLR8MTNR1BMTNR1ANAMPT
SCHEMBL29320220 0.90 TLR8 (0.37) TLR7TLR8NAMPT
SCHEMBL27194825 0.89 NLRP3 (0.37) TLR7TLR8NLRP3

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 1 patent. 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

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 TLR7 236/4885TLR8 210/4885MTNR1B 370/4885

“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.