SCHEMBL23037574

SCHEMBL23037574

CC(C)(C)OC(=O)NCc1nc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2o1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 7/20 0.53
GRM2 Q14416 1/20 0.39
ATR Q13535 3/20 0.38
ATRIP Q8WXE1 3/20 0.38
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
BRD4 O60885 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.34
HPN P05981 1/20 0.34

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
SCHEMBL23037655 0.82 GRM2 (0.40) GRM2PRMT5WDR77TLR8TLR7
SCHEMBL23037646 0.79 NLRP3 (0.49) NLRP3TLR8TLR7CYP1A2
SCHEMBL30837706 0.79 NLRP3 (0.49) NLRP3TLR8TLR7CYP1A2
SCHEMBL29314789 0.78 TLR8 (0.47) NLRP3TLR8TLR7
SCHEMBL23037642 0.78 NLRP3 (0.53) NLRP3TLR8TLR7CYP1A2
SCHEMBL23037625 0.77 NLRP3 (0.49) NLRP3GRM2ATRATRIPROCK2
SCHEMBL23037569 0.75 NLRP3 (0.47) NLRP3GRM2ATRATRIPROCK2
SCHEMBL29314786 0.75 TLR8 (0.52) NLRP3TLR8TLR7CYP1A2
SCHEMBL23037603 0.74 NLRP3 (0.41) NLRP3GRM2ATRATRIPROCK2
SCHEMBL20651728 0.74 NLRP3 (0.47) NLRP3GRM2ATRATRIPROCK2

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 NLRP3 1/4885GRM2 1735/4885ATR 3043/4885

“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.