SCHEMBL29314855

SCHEMBL29314855

CS(=O)(=O)CCn1cc2c(n1)c(N)nc1cc(-c3cc[nH]n3)ccc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
DHFR P00374 1/20 0.33
KDM1A O60341 1/20 0.32
ADORA3 P0DMS8 4/20 0.31
ADORA2A P29274 4/20 0.31
ADORA1 P30542 4/20 0.31
SLC2A1 P11166 1/20 0.31
FGFR1 P11362 1/20 0.30
FGFR2 P21802 1/20 0.30
FGFR4 P22455 1/20 0.30
FGFR3 P22607 1/20 0.30
KDR P35968 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
SCHEMBL29314857 0.94 TLR8 (0.45) TLR8TLR7DHFRADORA3ADORA2A
SCHEMBL26792198 0.92 TLR8 (0.43) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL26788083 0.92 DHFR (0.35) TLR8TLR7DHFRKDM1ASLC2A1
SCHEMBL23037545 0.89 TLR7 (0.39) TLR8TLR7DHFRFGFR1FGFR2
SCHEMBL30539906 0.89 TLR7 (0.39) TLR8TLR7DHFRFGFR1FGFR2
SCHEMBL23037577 0.87 TLR8 (0.43) TLR8TLR7DHFRADORA3ADORA2A
SCHEMBL26782132 0.87 TLR8 (0.36) TLR8TLR7DHFRSLC2A1
SCHEMBL29314604 0.85 TLR8 (0.43) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL23037637 0.85 TLR8 (0.43) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL23037627 0.85 TLR8 (0.47) TLR8TLR7ADORA3ADORA2AADORA1

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 236/4885DHFR 2463/4885

“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.