SCHEMBL25818411

SCHEMBL25818411

CC(C)c1nn(CC(=O)CCc2ccncn2)c(=O)c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)cn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.44
GPR119 Q8TDV5 8/20 0.40
WNT3A P56704 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
CNR1 P21554 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
THRB P10828 1/20 0.34
NAMPT P43490 1/20 0.34
SYK P43405 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL30380673 0.86 NLRP3 (0.62) NLRP3GPR119WNT3ADDB1CRBN
SCHEMBL23952169 0.86 NLRP3 (0.62) NLRP3GPR119WNT3ADDB1CRBN
SCHEMBL25818404 0.84 NLRP3 (0.44) NLRP3GPR119WNT3ADDB1CRBN
SCHEMBL23952182 0.80 MAPT (0.43) NLRP3GPR119DDB1CRBNTLR9
SCHEMBL23952209 0.74 NLRP3 (0.74) NLRP3TSHR
SCHEMBL23952397 0.73 NLRP3 (0.71) NLRP3
SCHEMBL30059642 0.73 NLRP3 (0.71) NLRP3
SCHEMBL23952073 0.72 NLRP3 (0.68) NLRP3TSHR
SCHEMBL23925340 0.71 NLRP3 (0.68) NLRP3THRBTSHR
SCHEMBL23925463 0.70 NLRP3 (0.71) NLRP3TSHR

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 1/4885GPR119 2740/4885WNT3A 1678/4885

“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.