SCHEMBL23950313

SCHEMBL23950313

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
NLRP3 Q96P20 2/20 0.40
TP53 P04637 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL23950508 0.87 ALOX15 (0.43) NLRP3TP53NPC1MAPTPOLB
SCHEMBL23950166 0.82 NLRP3 (0.43) TSHRNLRP3TP53SMN1; SMN2NPC1
SCHEMBL23925465 0.76 NLRP3 (0.64) TSHRNLRP3TP53SMN1; SMN2MAPT
SCHEMBL23950509 0.76 NLRP3 (0.53) NLRP3TP53MAPTTHRBKMT2A
SCHEMBL23950349 0.73 KDM4E (0.42) TSHRNLRP3SMN1; SMN2KDM4EPOLB
SCHEMBL23950372 0.72 NLRP3 (0.42) TSHRNLRP3TP53SMN1; SMN2NPC1
SCHEMBL25633279 0.71 TP53 (0.62) NLRP3TP53NPC1MAPTTHRB
SCHEMBL23950524 0.69 KDM4E (0.47) TSHRSMN1; SMN2KDM4EPOLBALDH1A1
SCHEMBL23950167 0.69 NLRP3 (0.42) TSHRNLRP3TP53SMN1; SMN2NPC1
SCHEMBL23950178 0.68 NLRP3 (0.43) NLRP3LMNA

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 TSHR 4052/4885NLRP3 1/4885TP53 2445/4885

“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.