SCHEMBL25815982

SCHEMBL25815982

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.42
BRD4 O60885 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
KMT2A Q03164 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTGER1 P34995 1/20 0.30
RORA P35398 1/20 0.30
RORC P51449 1/20 0.30
RORB Q92753 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
SCHEMBL25815971 0.78 NLRP3 (0.34) NLRP3
SCHEMBL25815943 0.78 MAT2A (0.35) NLRP3BRD4
SCHEMBL23952591 0.78 NLRP3 (0.55) NLRP3LMNAPTGER1
SCHEMBL25816710 0.73 NLRP3 (0.51) NLRP3KDM4EMEN1NPC1ALDH1A1
SCHEMBL23952567 0.72 NLRP3 (0.50) NLRP3BRD4KDM4EMEN1ALDH1A1
SCHEMBL25815465 0.71 NLRP3 (0.33) NLRP3KDM4ENPC1ALDH1A1RAB9A
SCHEMBL23952604 0.70 NLRP3 (0.48) NLRP3LMNA
SCHEMBL23952600 0.69 NLRP3 (0.48) NLRP3MEN1LMNAKMT2A
SCHEMBL28970048 0.67 NLRP3 (0.44) NLRP3ALDH1A1LMNAPTGER1
SCHEMBL25816770 0.66 NLRP3 (0.47) NLRP3KDM4ENPC1ALDH1A1LMNA

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 1/4885BRD4 337/4885KDM4E 3436/4885

“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.