SCHEMBL29315533

SCHEMBL29315533

NC(=O)Cn1cc2c(n1)c(N)nc1cc(-c3cc[nH]n3)ccc12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.38
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
NLRP3 Q96P20 4/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
ADORA3 P0DMS8 2/20 0.31
ADORA2A P29274 2/20 0.31
ADORA1 P30542 2/20 0.31
TDO2 P48775 1/20 0.31
TGFBR1 P36897 2/20 0.30
PIM1 P11309 1/20 0.30
DHFR P00374 1/20 0.30
CYP3A4 P08684 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
SCHEMBL26792311 0.87 CCNC (0.34) TLR8TLR7
SCHEMBL29314416 0.87 TLR7 (0.37) TLR8TLR7NLRP3AURKAAURKB
SCHEMBL29315507 0.86 TLR7 (0.35) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL26792201 0.85 TLR8 (0.34) TLR8TLR7PIM1
SCHEMBL29315550 0.84 TLR7 (0.34) TLR8TLR7NLRP3ADORA3ADORA2A
SCHEMBL29315499 0.84 SMN1; SMN2 (0.38) AURKAAURKB
SCHEMBL29315523 0.84 TLR8 (0.32) TLR8TLR7ADORA2AADORA1
SCHEMBL29315570 0.84 IRAK4 (0.40) TLR8TLR7
SCHEMBL29315543 0.84 GRIN2B (0.34) TLR8TLR7
SCHEMBL23037577 0.84 TLR8 (0.43) MPOTLR8TLR7ADORA3ADORA2A

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 MPO 170/4885TLR8 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.