SCHEMBL23950606

SCHEMBL23950606

COc1nn(CC(=O)O)c(=O)c2cc(C3CC3)nn12

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.42
PDE4B Q07343 3/20 0.40
PDE3A Q14432 1/20 0.38
POLB P06746 2/20 0.37
TP53 P04637 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 2/20 0.34
FPR1 P21462 1/20 0.34
FPR2 P25090 1/20 0.34

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
SCHEMBL23950498 0.91 NLRP3 (0.43) NLRP3PDE4BPDE3APOLBTP53
SCHEMBL23950187 0.84 POLB (0.46) NLRP3POLBLMNAKMT2A
SCHEMBL23950824 0.82 NLRP3 (0.43) NLRP3PDE4BPOLBLMNA
SCHEMBL25285708 0.81 NLRP3 (0.48) NLRP3PDE4BPDE3ATP53KMT2A
SCHEMBL23950528 0.81 NLRP3 (0.48) NLRP3PDE4BPDE3ATP53KMT2A
SCHEMBL23950176 0.81 NLRP3 (0.42) NLRP3PDE4BPOLBLMNA
SCHEMBL23950172 0.81 NLRP3 (0.60) NLRP3PDE4BPOLBLMNA
SCHEMBL25751423 0.79 NLRP3 (0.40) NLRP3PDE4BPOLBTP53
SCHEMBL23950488 0.79 NLRP3 (0.45) NLRP3PDE4BPOLBLMNA
SCHEMBL23950795 0.78 NLRP3 (0.41) NLRP3PDE4BPOLBTP53LMNA

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 3 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
WO-2021209552-A1 PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-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-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 548/4885PDE3A 1216/4885

“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.