SCHEMBL23950798

SCHEMBL23950798

CCCCc1nn(CC(=O)OCC)c(=O)c2cc(C3CC3)nn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
AGTR1 P30556 1/20 0.38
AGTR2 P50052 1/20 0.38
TSHR P16473 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 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
SCHEMBL23950795 0.88 NLRP3 (0.41) NLRP3AGTR1AGTR2POLBKMT2A
SCHEMBL23950486 0.86 NLRP3 (0.42) NLRP3KDM4EGAATSHRALDH1A1
SCHEMBL23950582 0.84 KDM4E (0.41) NLRP3KDM4EGAATSHRALDH1A1
SCHEMBL23950470 0.83 KDM4E (0.40) NLRP3KDM4EGAATSHRALDH1A1
SCHEMBL23950168 0.81 KDM4E (0.39) NLRP3KDM4EGAATSHRALDH1A1
SCHEMBL23950211 0.81 NLRP3 (0.55) NLRP3KDM4EGAATSHRALDH1A1
SCHEMBL23950649 0.78 NLRP3 (0.46) NLRP3KMT2ATP53
SCHEMBL25751401 0.78 NLRP3 (0.42) NLRP3KDM4EPOLBRXFP1TP53
SCHEMBL23950793 0.77 POLB (0.38) NLRP3KDM4EGAAALDH1A1POLB
SCHEMBL23950380 0.75 POLB (0.44) NLRP3TSHRPOLBSMN1; SMN2RXFP1

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 1/4885KDM4E 2355/4885GAA 3781/4885

“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.