SCHEMBL23952201

SCHEMBL23952201

CC(C)c1nn(CC(=O)NC2CCOCC2)c(=O)c2cc(-c3ccccc3)cn12

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 10/20 0.58
THRB P10828 2/20 0.48
GRIN2B Q13224 3/20 0.44
TP53 P04637 1/20 0.43
KCNH2 Q12809 1/20 0.41
HTR4 Q13639 1/20 0.41

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
SCHEMBL23952211 0.86 NLRP3 (0.67) NLRP3THRBTP53KCNH2
SCHEMBL23952602 0.81 NLRP3 (0.47) NLRP3
SCHEMBL23950385 0.79 NLRP3 (0.61) NLRP3THRBTP53KCNH2
SCHEMBL25816790 0.76 NLRP3 (0.45) NLRP3TP53
SCHEMBL23952067 0.75 NLRP3 (0.54) NLRP3THRBTP53KCNH2
SCHEMBL23952207 0.75 NLRP3 (0.75) NLRP3TP53
SCHEMBL25815490 0.75 GAA (0.54) NLRP3
SCHEMBL21632361 0.73 NLRP3 (1.00) NLRP3TP53KCNH2
SCHEMBL25633373 0.73 THRB (0.76) NLRP3THRBTP53KCNH2
SCHEMBL25634247 0.72 THRB (0.65) NLRP3THRBTP53

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
WO-2021209539-A1 PYRROLO[1,2-D][1,2,4]TRIAZINE-2-YL-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY JANSSEN PHARMACEUTICA NV (BE) 2021-10-21 WO 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 1/4885THRB 2843/4885GRIN2B 1029/4885

“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.