SCHEMBL23950811

SCHEMBL23950811

CC(C)c1nn(CC(=O)N[C@@H]2CCC(=O)N(C)C2)c(=O)c2cc(C3CC3)nn12

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 11/20 0.61
KCNH2 Q12809 1/20 0.42
THRB P10828 2/20 0.39
SLC18A2 Q05940 1/20 0.36
ACSS2 Q9NR19 4/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL23950816 1.00 NLRP3 (0.61) NLRP3KCNH2THRBSLC18A2ACSS2
SCHEMBL25752826 1.00 NLRP3 (0.61) NLRP3KCNH2THRBSLC18A2ACSS2
SCHEMBL23950388 0.89 NLRP3 (0.57) NLRP3KCNH2THRBSLC18A2TP53
SCHEMBL23950392 0.89 NLRP3 (0.57) NLRP3KCNH2THRBSLC18A2TP53
SCHEMBL23950390 0.89 NLRP3 (0.57) NLRP3KCNH2THRBSLC18A2TP53
SCHEMBL25753229 0.84 NLRP3 (0.56) NLRP3KCNH2THRBSLC18A2TP53
SCHEMBL23950385 0.84 NLRP3 (0.61) NLRP3KCNH2THRBTP53
SCHEMBL23950511 0.83 NLRP3 (0.62) NLRP3KCNH2THRBTP53
SCHEMBL23925344 0.83 NLRP3 (0.62) NLRP3KCNH2THRBSLC18A2
SCHEMBL23925343 0.83 NLRP3 (0.62) NLRP3KCNH2THRBSLC18A2

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-20230203044-A1 PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
WO-2021209552-A1 PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-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-20230203044-A1 PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME NLRP3, PYCARD, NLRP1 NLRP3 1/4885KCNH2 2596/4885THRB 2320/4885

“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.