SCHEMBL23950383

SCHEMBL23950383

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

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 12/20 0.66
KCNH2 Q12809 1/20 0.38
CYP11B2 P19099 1/20 0.37
THRB P10828 1/20 0.34
CHRM1 P11229 4/20 0.34
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCND3 P30281 1/20 0.33
CDK6 Q00534 1/20 0.33

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
SCHEMBL23950385 0.86 NLRP3 (0.61) NLRP3KCNH2THRB
SCHEMBL23925407 0.82 NLRP3 (0.68) NLRP3KCNH2THRB
SCHEMBL25239667 0.81 NLRP3 (0.76) NLRP3KCNH2THRB
SCHEMBL25284352 0.79 NLRP3 (1.00) NLRP3KCNH2THRB
SCHEMBL23950172 0.79 NLRP3 (0.60) NLRP3KCNH2THRB
SCHEMBL23950511 0.78 NLRP3 (0.62) NLRP3KCNH2THRB
SCHEMBL23950466 0.78 NLRP3 (0.59) NLRP3KCNH2
SCHEMBL25242095 0.78 NLRP3 (0.64) NLRP3KCNH2THRB
SCHEMBL23950801 0.77 NLRP3 (0.58) NLRP3KCNH2THRB
SCHEMBL25752826 0.76 NLRP3 (0.61) 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 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 2596/4885CYP11B2 171/4885

“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.