SCHEMBL25819064

SCHEMBL25819064

CC(C)c1cc2c(=O)n(CC(=O)N(C)c3ccncn3)nc(N(C)C)n2c1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 4/20 0.44
TP53 P04637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.31
BRD4 O60885 1/20 0.30
BRPF1 P55201 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL25819084 0.88 NLRP3 (0.40) NLRP3
SCHEMBL25818108 0.86 NLRP3 (0.39) NLRP3TP53NPSR1SMN1; SMN2
SCHEMBL25819130 0.86 NLRP3 (0.43) NLRP3TP53BRD4BRPF1
SCHEMBL25819114 0.85 NLRP3 (0.43) NLRP3TP53
SCHEMBL25819159 0.85 NLRP3 (0.47) NLRP3TP53BRD4BRPF1
SCHEMBL23952170 0.83 NLRP3 (0.64) NLRP3TP53SMN1; SMN2
SCHEMBL23952028 0.80 NLRP3 (0.43) NLRP3
SCHEMBL25816523 0.79 NLRP3 (0.51) NLRP3TP53NPSR1
SCHEMBL25817722 0.78 NLRP3 (0.51) NLRP3TP53NPSR1
SCHEMBL23952026 0.76 KDM4E (0.43) NLRP3BRD4SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183248-A1 PYRROLO[1,2-D][1,2,4]TRIAZINE-2-YL-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY JANSSEN PHARMACEUTICA NV (BE) 2023-06-15 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-20230183248-A1 PYRROLO[1,2-D][1,2,4]TRIAZINE-2-YL-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY NLRP3, NLRP1, IL1B NLRP3 1/4885TP53 2459/4885NPSR1 420/4885

“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.