SCHEMBL25816039

SCHEMBL25816039

CC(C)c1n[nH]c(=O)c2cc(N)cn12

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 2/20 0.32
PDE5A O76074 1/20 0.32
PRMT5 O14744 3/20 0.32
WDR77 Q9BQA1 3/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
CYP2C9 P11712 1/20 0.31
UGT1A1 P22309 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
SLCO1B1 Q9Y6L6 1/20 0.31
TLR7 Q9NYK1 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL25815465 0.83 NLRP3 (0.33) PDE9APDE5APRMT5WDR77KDM4E
SCHEMBL25815432 0.83 KDM4E (0.38) PDE9APDE5APRMT5WDR77KDM4E
SCHEMBL23952352 0.81 PARP1 (0.37) KDM4ENPC1ALDH1A1RAB9ATHRA
SCHEMBL23952549 0.81 PDE5A (0.37) PDE9APDE5APRMT5WDR77KDM4E
SCHEMBL23952551 0.81 NLRP3 (0.38) KDM4ENPC1ALDH1A1RAB9AGAA
SCHEMBL23952556 0.81 MAPK14 (0.32) PRMT5WDR77KDM4ENPC1ALDH1A1
SCHEMBL23925406 0.80 PDE4B (0.33) KDM4ENPC1ALDH1A1RAB9ATHRB
SCHEMBL23952164 0.78 PRMT5 (0.32) PRMT5WDR77NPC1RAB9A
SCHEMBL23952423 0.78 PRMT5 (0.35) PRMT5WDR77THRATHRB
SCHEMBL23952434 0.78

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 PDE9A 4018/4885PDE5A 850/4885PRMT5 1748/4885

“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.