SCHEMBL25751423

SCHEMBL25751423

COCCNc1nn(CC(=O)O)c(=O)c2cc(C3CC3)nn12

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.40
PDE4B Q07343 2/20 0.37
RAB9A P51151 1/20 0.35
TP53 P04637 2/20 0.35
POLB P06746 2/20 0.34
UBE2N P61088 1/20 0.34
MDM4 O15151 1/20 0.34
MDM2 Q00987 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
NTRK1 P04629 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
SCHEMBL23950793 0.89 POLB (0.38) NLRP3PDE4BTP53POLBL3MBTL1
SCHEMBL23950827 0.80 NLRP3 (0.52) NLRP3
SCHEMBL23950187 0.80 POLB (0.46) NLRP3POLBUBE2NMDM4MDM2
SCHEMBL23950606 0.79 NLRP3 (0.42) NLRP3PDE4BTP53POLB
SCHEMBL23950165 0.78 NLRP3 (0.40) NLRP3PDE4BPOLBNTRK1
SCHEMBL23950176 0.77 NLRP3 (0.42) NLRP3PDE4BPOLBUBE2N
SCHEMBL23950824 0.76 NLRP3 (0.43) NLRP3PDE4BPOLB
SCHEMBL23950380 0.76 POLB (0.44) NLRP3RAB9ATP53POLBUBE2N
SCHEMBL23950172 0.74 NLRP3 (0.60) NLRP3PDE4BPOLB
SCHEMBL23950488 0.73 NLRP3 (0.45) NLRP3PDE4BPOLB

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 1/4885PDE4B 548/4885RAB9A 4563/4885

“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.