SCHEMBL25815457

SCHEMBL25815457

COCc1n[nH]c(=O)c2cc(C(C)C)cn12

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
PDE2A O00408 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
BRD4 O60885 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
SCHEMBL25815445 0.87 BRD4 (0.33) TDP1HCAR2BRD4
SCHEMBL25815465 0.80 NLRP3 (0.33) TDP1
SCHEMBL23952158 0.79 TDP1 (0.33) TDP1
SCHEMBL23952356 0.71 NLRP3 (0.41)
SCHEMBL25815507 0.67 KDM4E (0.42) BRD4
SCHEMBL25815432 0.65 KDM4E (0.38) THRATHRB
SCHEMBL23952352 0.64 PARP1 (0.37) THRATHRB
SCHEMBL23952549 0.64 PDE5A (0.37) THRATHRB
SCHEMBL23952551 0.64 NLRP3 (0.38)
SCHEMBL23952556 0.64 MAPK14 (0.32)

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 TDP1 560/4885THRA 3080/4885THRB 2843/4885

“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.