SCHEMBL25815432

SCHEMBL25815432

Cc1cc2c(=O)[nH]nc(C(C)C)n2c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
PRMT5 O14744 2/20 0.34
WDR77 Q9BQA1 2/20 0.34
GAA P10253 1/20 0.33
GSK3A P49840 7/20 0.31
GSK3B P49841 7/20 0.31
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30
PDE5A O76074 1/20 0.30
PDE9A O76083 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 0.84 NLRP3 (0.33) KDM4ENPC1ALDH1A1RAB9APRMT5
SCHEMBL23952352 0.83 PARP1 (0.37) KDM4ENPC1ALDH1A1RAB9AGAA
SCHEMBL23952556 0.83 MAPK14 (0.32) KDM4ENPC1ALDH1A1RAB9APRMT5
SCHEMBL23952551 0.83 NLRP3 (0.38) KDM4ENPC1ALDH1A1RAB9AGAA
SCHEMBL25816039 0.83 PDE9A (0.32) KDM4ENPC1ALDH1A1RAB9APRMT5
SCHEMBL23952549 0.83 PDE5A (0.37) KDM4ENPC1ALDH1A1RAB9APRMT5
SCHEMBL23925406 0.81 PDE4B (0.33) KDM4ENPC1ALDH1A1RAB9ATHRB
SCHEMBL23952423 0.79 PRMT5 (0.35) PRMT5WDR77THRATHRB
SCHEMBL23952164 0.79 PRMT5 (0.32) NPC1RAB9APRMT5WDR77
SCHEMBL23952434 0.79

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 2 patents. 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
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 KDM4E 3436/4885NPC1 2094/4885ALDH1A1 898/4885

“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.