SCHEMBL23037577

SCHEMBL23037577

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.43
TLR7 Q9NYK1 1/20 0.43
ADORA3 P0DMS8 8/20 0.33
ADORA2A P29274 8/20 0.33
ADORA1 P30542 5/20 0.33
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31
DHFR P00374 1/20 0.30
MPO P05164 1/20 0.30
KCNH2 Q12809 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
SCHEMBL23037627 0.94 TLR8 (0.47) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL23037702 0.91 TLR8 (0.34) TLR8TLR7NOS3NOS1DHFR
SCHEMBL23037675 0.89 TLR7 (0.46) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL30539860 0.89 TLR7 (0.46) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL29321207 0.88 TLR8 (0.33) TLR8TLR7NOS3NOS1
SCHEMBL29314604 0.88 TLR8 (0.43) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL23037637 0.88 TLR8 (0.43) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL29314855 0.87 TLR8 (0.42) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL29315565 0.86 TLR7 (0.38) TLR8TLR7ADORA3ADORA2AADORA1
SCHEMBL29314605 0.86 TLR8 (0.46) 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 7 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
US-12037344-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC (US) 2024-07-16 US disclosed
EP-4353235-A2 NLRP3 MODULATORS Innate Tumor Immunity, Inc. (US) 2024-04-17 EP disclosed
CN-112521387-A NLRP3 modulators 先天肿瘤免疫公司 2021-03-19 CN disclosed
EP-3784670-A1 NLRP3 MODULATORS Innate Tumor Immunity, Inc. (US) 2021-03-03 EP disclosed
CN-112074516-A NLRP3 modulators 先天肿瘤免疫公司 2020-12-11 CN 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 236/4885ADORA3 956/4885

“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.