SCHEMBL25819165

SCHEMBL25819165

COc1nn(CC(=O)N(C)C2CCOCC2)c(=O)c2cc(C(C)C)cn12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.40
KMT2A Q03164 3/20 0.38
TLR9 Q9NR96 5/20 0.34
TLR8 Q9NR97 5/20 0.34
TLR7 Q9NYK1 5/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPK1 P28482 2/20 0.33
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
CCR5 P51681 1/20 0.31

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
SCHEMBL23952067 0.83 NLRP3 (0.54) NLRP3KMT2A
SCHEMBL23952023 0.79 NLRP3 (0.43) NLRP3POLB
SCHEMBL23952019 0.77 NLRP3 (0.43) NLRP3KMT2ANPC1RAB9AKDM4E
SCHEMBL23952013 0.76 KDM4E (0.46) NLRP3KMT2AMAPK1BRD4KDM4E
SCHEMBL25817916 0.76 NLRP3 (0.48) NLRP3KMT2A
SCHEMBL25816756 0.75 NLRP3 (0.40) NLRP3KMT2ANPC1RAB9AKDM4E
SCHEMBL25819124 0.74 NLRP3 (0.42) NLRP3KMT2A
SCHEMBL25819148 0.71 NLRP3 (0.37) NLRP3KMT2A
SCHEMBL25819106 0.71 KMT2A (0.38) NLRP3KMT2APOLB
SCHEMBL23952211 0.71 NLRP3 (0.67) NLRP3KMT2A

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 1/4885KMT2A 3736/4885TLR9 1400/4885

“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.