SCHEMBL25815549

SCHEMBL25815549

CCCc1cc2c(=O)n(CC(=O)O)nc(C(C)C)n2c1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 8/20 0.44
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX15 P16050 1/20 0.36
LMNA P02545 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
SCHEMBL23952611 0.90 NLRP3 (0.46) NLRP3ALOX15LMNA
SCHEMBL23952192 0.87 CYP2C19 (0.43) NLRP3MEN1POLBKMT2A
SCHEMBL23952199 0.84 NLRP3 (0.44) NLRP3ALOX15LMNA
SCHEMBL23952591 0.82 NLRP3 (0.55) NLRP3ALOX15LMNA
SCHEMBL23952022 0.81 POLB (0.35) MEN1POLBKMT2AALOX15LMNA
SCHEMBL23952018 0.81 NLRP3 (0.42) NLRP3ALOX15LMNA
SCHEMBL23952368 0.81 NLRP3 (0.47) NLRP3ALOX15LMNA
SCHEMBL23952040 0.81 NLRP3 (0.47) NLRP3ALOX15LMNA
SCHEMBL23952044 0.81 NLRP3 (0.47) NLRP3LMNA
SCHEMBL23952041 0.81 NLRP3 (0.63) NLRP3ALOX15LMNA

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 1/4885MEN1 3754/4885POLB 3251/4885

“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.