SCHEMBL25816790

SCHEMBL25816790

CC(C)c1nn(CC(=O)OI)c(=O)c2cc(-c3ccccc3)cn12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.45
TSHR P16473 2/20 0.41
GAA P10253 2/20 0.39
KMT2A Q03164 3/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TP53 P04637 1/20 0.36
MEN1 O00255 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 1/20 0.35
PDE6D O43924 1/20 0.35
PDE5A O76074 1/20 0.35
PDE6A P16499 1/20 0.35
PDE6G P18545 1/20 0.35
PDE6B P35913 1/20 0.35

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
SCHEMBL23952602 0.89 NLRP3 (0.47) NLRP3ALOX15
SCHEMBL25815490 0.88 GAA (0.54) NLRP3TSHRGAAKMT2AHTT
SCHEMBL25816710 0.83 NLRP3 (0.51) NLRP3KMT2AKDM4EALDH1A1HPGD
SCHEMBL25816781 0.81 NLRP3 (0.45) NLRP3GAAKMT2ASMN1; SMN2TP53
SCHEMBL25816700 0.79 NLRP3 (0.43) NLRP3KMT2AKDM4EALDH1A1HPGD
SCHEMBL25816687 0.79 NLRP3 (0.43) NLRP3SMN1; SMN2TP53MAPT
SCHEMBL23952207 0.76 NLRP3 (0.75) NLRP3TSHRGAAHTTKDM4E
SCHEMBL23952201 0.76 NLRP3 (0.58) NLRP3TP53
SCHEMBL23952041 0.73 NLRP3 (0.63) NLRP3LMNAALOX15
SCHEMBL23952037 0.72 NLRP3 (0.45) NLRP3TSHRKMT2AHTTKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183248-A1 PYRROLO[1,2-D][1,2,4]TRIAZINE-2-YL-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY JANSSEN PHARMACEUTICA NV (BE) 2023-06-15 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-20230183248-A1 PYRROLO[1,2-D][1,2,4]TRIAZINE-2-YL-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY NLRP3, NLRP1, IL1B NLRP3 1/4885TSHR 4216/4885GAA 4318/4885

“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.