SCHEMBL25816505

SCHEMBL25816505

CC(C)c1nn(CC(=O)N(I)c2ccncn2)c(=O)c2cc(CN(C)C)cn12

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 7/20 0.52
DHODH Q02127 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
SCHEMBL23952038 0.82 NLRP3 (0.74) NLRP3DHODH
SCHEMBL25817722 0.81 NLRP3 (0.51) NLRP3DHODH
SCHEMBL25816523 0.77 NLRP3 (0.51) NLRP3
SCHEMBL23952378 0.75 NLRP3 (0.70) NLRP3DHODH
SCHEMBL23952189 0.72 NLRP3 (0.78) NLRP3DHODH
SCHEMBL30249411 0.72 NLRP3 (0.78) NLRP3DHODH
SCHEMBL23952424 0.72 NLRP3 (0.78) NLRP3DHODH
SCHEMBL30061659 0.71 NLRP3 (0.76) NLRP3DHODH
SCHEMBL23952035 0.71 NLRP3 (0.76) NLRP3DHODH
SCHEMBL23952062 0.71 NLRP3 (0.76) NLRP3DHODH

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 1/4885DHODH 1822/4885

“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.