SCHEMBL23950206

SCHEMBL23950206

CC(C)(C)OC(=O)Nc1ccc2nc(C(F)F)cn2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.47
PSMB8 P28062 1/20 0.41
CYP17A1 P05093 3/20 0.41
TTK P33981 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
NAMPT P43490 1/20 0.39
MAP3K5 Q99683 1/20 0.38

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
SCHEMBL25241958 0.80 MCHR1 (0.47) MCHR1KDM4ENPC1ALDH1A1POLB
SCHEMBL12393079 0.80 PTGS1 (0.44) MCHR1PSMB8CYP17A1TTKKDM4E
SCHEMBL23950379 0.79 MCHR1 (0.54) MCHR1PSMB8CYP17A1TTKKDM4E
SCHEMBL23950205 0.79 CYP17A1 (0.43) MCHR1PSMB8CYP17A1TTKKDM4E
SCHEMBL31154209 0.77 ALDH1A1 (0.69) TTKKDM4ENPC1ALDH1A1POLB
SCHEMBL23950382 0.76 KDM4E (0.54) PSMB8CYP17A1KDM4ENPC1ALDH1A1
SCHEMBL1421040 0.75 NAMPT (0.48) PSMB8CYP17A1CA12CA1CA9
SCHEMBL22123559 0.74 MLLT1 (0.49) PSMB8CYP17A1TTKCA12CA1
SCHEMBL20595896 0.74 RORC (0.51) MCHR1PSMB8CYP17A1CA12CA1
SCHEMBL6312547 0.72 MAP3K5 (0.46) MAP3K5

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 4 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
EP-4135843-A1 PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY JANSSEN Pharmaceutica NV (BE) 2023-02-22 EP 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 MCHR1 1420/4885PSMB8 3471/4885CYP17A1 305/4885

“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.