SCHEMBL23037545

SCHEMBL23037545

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.39
TLR8 Q9NR97 1/20 0.39
DHFR P00374 2/20 0.33
CDC7 O00311 1/20 0.30
ROCK2 O75116 1/20 0.30
MAP4K4 O95819 1/20 0.30
PIM1 P11309 1/20 0.30
PRKACA P17612 1/20 0.30
CDK2 P24941 1/20 0.30
GSK3B P49841 1/20 0.30
HIPK2 Q9H2X6 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
AURKA O14965 1/20 0.30
PDPK1 O15530 1/20 0.30
TGFBR1 P36897 1/20 0.30
AURKB Q96GD4 1/20 0.30
FGFR1 P11362 1/20 0.30
FGFR2 P21802 1/20 0.30
FGFR4 P22455 1/20 0.30
FGFR3 P22607 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
SCHEMBL30539906 1.00 TLR7 (0.39) TLR7TLR8DHFRCDC7ROCK2
SCHEMBL23037650 0.93 DHFR (0.35) TLR7TLR8DHFRCDC7ROCK2
SCHEMBL30539921 0.93 DHFR (0.35) TLR7TLR8DHFRCDC7ROCK2
SCHEMBL29314855 0.89 TLR8 (0.42) TLR7TLR8DHFRFGFR1FGFR2
SCHEMBL30539878 0.88 TLR8 (0.41) TLR7TLR8
SCHEMBL23037630 0.88 TLR8 (0.41) TLR7TLR8
SCHEMBL23037637 0.88 TLR8 (0.43) TLR7TLR8AURKAPDPK1TGFBR1
SCHEMBL29314857 0.87 TLR8 (0.45) TLR7TLR8DHFR
SCHEMBL29057286 0.86 TLR7 (0.40) TLR7TLR8AURKAPDPK1TGFBR1
SCHEMBL29320192 0.85 TLR7 (0.39) TLR7TLR8DHFR

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 8 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-B NLRP3 modulators 先天肿瘤免疫公司 2023-08-22 CN 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 TLR7 236/4885TLR8 210/4885DHFR 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.