SCHEMBL29320623

SCHEMBL29320623

COC(=O)c1cccc(C(=O)NCCn2cc3c(n2)c(N)nc2cc(-c4cc[nH]n4)ccc23)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 10/20 0.36
TLR8 Q9NR97 4/20 0.36
ERN1 O75460 1/20 0.32
NAMPT P43490 1/20 0.32
MAP4K4 O95819 1/20 0.31
ADORA2A P29274 3/20 0.31
ADORA1 P30542 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
ADORA3 P0DMS8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 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
SCHEMBL29320641 0.92 TLR8 (0.35) TLR7TLR8ERN1NAMPTMAP4K4
SCHEMBL29314642 0.92 TLR8 (0.36) TLR7TLR8ERN1NAMPTMAP4K4
SCHEMBL29314654 0.90 TLR8 (0.35) TLR7TLR8ERN1NAMPTMAP4K4
SCHEMBL29320594 0.90 TLR8 (0.35) TLR7TLR8ERN1NAMPTMAP4K4
SCHEMBL29314709 0.88 IRAK4 (0.41)
SCHEMBL29320279 0.88 KDM4E (0.38) TLR7TLR8ADORA3KDM4EHSD17B10
SCHEMBL29314679 0.87 P2RX7 (0.35) TLR7TLR8NAMPTMAP4K4
SCHEMBL29314645 0.87 TLR7 (0.35) TLR7TLR8NAMPTALDH1A1
SCHEMBL29314637 0.86 TLR7 (0.35) TLR7TLR8NAMPTNPC1RAB9A
SCHEMBL29320239 0.86 TLR7 (0.41) TLR7TLR8NAMPTMAP4K4NPC1

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 210/4885ERN1 1289/4885

“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.