SCHEMBL23952175

SCHEMBL23952175

CC(C)c1cc2c(=O)n(CC(=O)Nc3ccncn3)nc(N(C)CC3CC3)n2c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 7/20 0.57
OPRM1 P35372 2/20 0.36
OPRL1 P41146 2/20 0.36
MAPT P10636 6/20 0.35
RXFP1 Q9HBX9 3/20 0.35
NTRK1 P04629 4/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 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
SCHEMBL23952205 0.89 NLRP3 (0.61) NLRP3OPRM1OPRL1MAPTRXFP1
SCHEMBL23952170 0.88 NLRP3 (0.64) NLRP3OPRM1OPRL1MAPTRXFP1
SCHEMBL25819084 0.85 NLRP3 (0.40) NLRP3
SCHEMBL23952442 0.83 NLRP3 (0.80) NLRP3MAPTRXFP1NTRK1
SCHEMBL23952197 0.82 NLRP3 (0.44) NLRP3MAPTRXFP1
SCHEMBL30061709 0.81 NLRP3 (0.72) NLRP3MAPTRXFP1NTRK1
SCHEMBL23952458 0.81 NLRP3 (0.72) NLRP3MAPTRXFP1NTRK1
SCHEMBL23952174 0.80 NLRP3 (0.65) NLRP3NTRK1
SCHEMBL23952379 0.80 NLRP3 (0.65) NLRP3MAPTRXFP1NTRK1TP53
SCHEMBL30062266 0.80 NLRP3 (0.65) NLRP3MAPTRXFP1NTRK1TP53

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 1/4885OPRM1 4481/4885OPRL1 1814/4885

“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.