SCHEMBL23952197

SCHEMBL23952197

CC(C)c1cc2c(=O)n(CC(=O)O)nc(N(C)CC3CC3)n2c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 5/20 0.44
MAPT P10636 3/20 0.34
S1PR1 P21453 1/20 0.31
KMT2A Q03164 2/20 0.31
RXFP1 Q9HBX9 2/20 0.31
THRB P10828 1/20 0.31
PTGER1 P34995 1/20 0.31
MEN1 O00255 1/20 0.31
CMA1 P23946 1/20 0.30
LMNA P02545 1/20 0.30
KDM2B Q8NHM5 1/20 0.30
DAO P14920 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
SCHEMBL23952190 0.88 NLRP3 (0.41) NLRP3MAPTKMT2ARXFP1THRB
SCHEMBL23952607 0.86 NLRP3 (0.41) NLRP3MAPTRXFP1PTGER1CMA1
SCHEMBL23952028 0.84 NLRP3 (0.43) NLRP3MAPTRXFP1PTGER1CMA1
SCHEMBL25819084 0.82 NLRP3 (0.40) NLRP3S1PR1
SCHEMBL23952175 0.82 NLRP3 (0.57) NLRP3MAPTRXFP1
SCHEMBL23952591 0.77 NLRP3 (0.55) NLRP3PTGER1CMA1LMNA
SCHEMBL23952443 0.75 KDM4E (0.41) NLRP3MAPTKMT2ARXFP1MEN1
SCHEMBL28970048 0.75 NLRP3 (0.44) NLRP3PTGER1CMA1LMNA
SCHEMBL23952196 0.74 NLRP3 (0.49) NLRP3MAPTKMT2ARXFP1THRB
SCHEMBL23952023 0.73 NLRP3 (0.43) NLRP3MAPTPTGER1CMA1LMNA

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 2 patents. 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
WO-2021209539-A1 PYRROLO[1,2-D][1,2,4]TRIAZINE-2-YL-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY JANSSEN PHARMACEUTICA NV (BE) 2021-10-21 WO 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 1/4885MAPT 1978/4885S1PR1 552/4885

“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.