SCHEMBL25751401

SCHEMBL25751401

CC(C)COC(=O)Cn1nc(CC(C)C)n2nc(C3CC3)cc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.42
TP53 P04637 2/20 0.36
PDE4B Q07343 3/20 0.32
POLB P06746 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
GPR139 Q6DWJ6 2/20 0.31
MAPT P10636 1/20 0.30
PDE3A Q14432 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL23950486 0.92 NLRP3 (0.42) NLRP3TP53POLBRXFP1KDM4E
SCHEMBL23950488 0.87 NLRP3 (0.45) NLRP3PDE4BPOLBGPR139MAPT
SCHEMBL23950798 0.78 NLRP3 (0.38) NLRP3TP53POLBRXFP1KDM4E
SCHEMBL23950211 0.77 NLRP3 (0.55) NLRP3POLBKDM4E
SCHEMBL23950582 0.75 KDM4E (0.41) NLRP3POLBKDM4E
SCHEMBL23950466 0.74 NLRP3 (0.59) NLRP3TP53PDE4BGPR139
SCHEMBL23950470 0.74 KDM4E (0.40) NLRP3POLBMAPTKDM4E
SCHEMBL23950168 0.73 KDM4E (0.39) NLRP3POLBKDM4E
SCHEMBL23950380 0.73 POLB (0.44) NLRP3TP53POLBRXFP1
SCHEMBL23950498 0.72 NLRP3 (0.43) NLRP3TP53PDE4BPOLBRXFP1

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-20230203044-A1 PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
US-20230203044-A1 PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 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-20230203044-A1 PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME NLRP3, PYCARD, NLRP1 NLRP3 1/4885TP53 2445/4885PDE4B 548/4885

“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.