SCHEMBL23950508

SCHEMBL23950508

CCc1nn(CC(=O)O)c(=O)c2cc(I)nn12

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
NLRP3 Q96P20 3/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL23950313 0.87 TSHR (0.41) NLRP3MAPTTP53LMNANPC1
SCHEMBL23950178 0.81 NLRP3 (0.43) ALOX15NLRP3LMNA
SCHEMBL23950198 0.78 ALOX15 (0.47) ALOX15NLRP3MAPTTP53NPC1
SCHEMBL23925465 0.77 NLRP3 (0.64) NLRP3MAPTTP53POLB
SCHEMBL23950509 0.77 NLRP3 (0.53) NLRP3MAPTTP53
SCHEMBL23952042 0.71 MAPT (0.70) ALOX15MAPTTP53POLB
SCHEMBL25633342 0.70 NPC1 (0.72) NLRP3MAPTTP53NPC1
SCHEMBL23950349 0.70 KDM4E (0.42) NLRP3POLB
SCHEMBL23950312 0.69 KDM4E (0.31)
SCHEMBL25633348 0.69 TP53 (0.67) TP53NPC1

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 ALOX15 331/4885NLRP3 1/4885MAPT 1369/4885

“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.