SCHEMBL23950456

SCHEMBL23950456

CC(C)c1nn(CC(=O)N[C@H]2C[C@@](C)(O)C2)c(=O)c2c(N)c(C3CC3)nn12

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 14/20 0.51
KCNH2 Q12809 1/20 0.35
CHRNA7 P36544 2/20 0.35
KMT2A Q03164 1/20 0.32
THRB P10828 1/20 0.32
HPGDS O60760 1/20 0.31

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
SCHEMBL25243118 1.00 NLRP3 (0.51) NLRP3KCNH2CHRNA7KMT2ATHRB
SCHEMBL23950189 0.89 NLRP3 (0.51) NLRP3KCNH2CHRNA7KMT2ATHRB
SCHEMBL25753005 0.88 NLRP3 (0.51) NLRP3KCNH2CHRNA7KMT2ATHRB
SCHEMBL25751754 0.87 NLRP3 (0.50) NLRP3KCNH2CHRNA7KMT2ATHRB
SCHEMBL30149314 0.86 NLRP3 (0.49) NLRP3KCNH2CHRNA7KMT2A
SCHEMBL23950454 0.85 NLRP3 (0.48) NLRP3KCNH2CHRNA7
SCHEMBL23950511 0.79 NLRP3 (0.62) NLRP3KCNH2THRBHPGDS
SCHEMBL23950603 0.77 NLRP3 (0.66) NLRP3KCNH2THRB
SCHEMBL23950990 0.75 NLRP3 (0.67) NLRP3KCNH2THRB
SCHEMBL23950598 0.74 NLRP3 (0.63) NLRP3KCNH2THRB

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 3 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
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 2596/4885CHRNA7 4228/4885

“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.