SCHEMBL23037686

SCHEMBL23037686

CC(C)(C)OC(=O)NCCc1nc2c(N)nc3cc(Br)ccc3c2s1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 15/20 0.42
TLR8 Q9NR97 11/20 0.42
NQO2 P16083 1/20 0.38
AAK1 Q2M2I8 1/20 0.37
PTGER4 P35408 1/20 0.35
GRM2 Q14416 1/20 0.35

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
SCHEMBL30539819 1.00 TLR7 (0.42) TLR7TLR8NQO2AAK1PTGER4
SCHEMBL23037677 0.83 NQO2 (0.39) NQO2AAK1PTGER4
SCHEMBL30539833 0.83 NQO2 (0.39) NQO2AAK1PTGER4
SCHEMBL23037625 0.83 NLRP3 (0.49) TLR7TLR8PTGER4GRM2
SCHEMBL5065092 0.81 TLR8 (0.48) TLR7TLR8
SCHEMBL5057090 0.81 TLR7 (0.47) TLR7TLR8
SCHEMBL5095445 0.79 CA12 (0.46) TLR7TLR8
SCHEMBL5057054 0.79 TLR8 (0.45) TLR7TLR8
SCHEMBL23037636 0.77 PDPK1 (0.37) TLR7TLR8AAK1GRM2
SCHEMBL5144738 0.77 TLR8 (0.68) TLR7TLR8

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 5 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
EP-3784670-A1 NLRP3 MODULATORS Innate Tumor Immunity, Inc. (US) 2021-03-03 EP 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 210/4885NQO2 315/4885

“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.