SCHEMBL23950379

SCHEMBL23950379

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.54
CYP17A1 P05093 3/20 0.43
PSMB8 P28062 1/20 0.42
METTL3 Q86U44 1/20 0.40
TTK P33981 1/20 0.40
MAP3K5 Q99683 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPKAPK2 P49137 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
MAPK14 Q16539 1/20 0.39
CA12 O43570 1/20 0.39

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
SCHEMBL12393079 0.81 PTGS1 (0.44) MCHR1CYP17A1PSMB8TTKKDM4E
SCHEMBL23950205 0.80 CYP17A1 (0.43) MCHR1CYP17A1PSMB8TTKKDM4E
SCHEMBL25241212 0.79 MCHR1 (0.58) MCHR1METTL3MAP3K5KDM4ENPC1
SCHEMBL23950382 0.79 KDM4E (0.54) CYP17A1PSMB8KDM4ENPC1ALDH1A1
SCHEMBL23950206 0.79 MCHR1 (0.47) MCHR1CYP17A1PSMB8TTKMAP3K5
SCHEMBL31154209 0.78 ALDH1A1 (0.69) TTKKDM4ENPC1ALDH1A1POLB
SCHEMBL2470714 0.75 CYP17A1 (0.45) CYP17A1PSMB8MAPKAPK2MAPK14CA12
SCHEMBL22123559 0.75 MLLT1 (0.49) CYP17A1PSMB8TTKCA12CA1
SCHEMBL20595896 0.75 RORC (0.51) MCHR1CYP17A1PSMB8CA12CA1
SCHEMBL853159 0.74 NAMPT (0.49) CYP17A1PSMB8MAPKAPK2PTGDR2MAPK14

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 5 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
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 1420/4885CYP17A1 305/4885PSMB8 3471/4885

“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.