SCHEMBL23950477

SCHEMBL23950477

CCOC(=O)Cn1nc(Br)n2nc(CC)cc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 1/20 0.43
POLB P06746 1/20 0.42
CYP2C9 P11712 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 1/20 0.41
TSHR P16473 2/20 0.40
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK8 P45983 1/20 0.39
BRD4 O60885 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL23950467 0.84 KDM4E (0.42) CYP2C19KDM4EGAAPOLBCYP2C9
SCHEMBL23950169 0.83 CYP2C19 (0.42) CYP2C19KDM4EGAAPOLBCYP2C9
SCHEMBL23950470 0.81 KDM4E (0.40) CYP2C19KDM4EGAAPOLBCYP2C9
SCHEMBL23950365 0.74 KDM4E (0.43) CYP2C19KDM4EGAAPOLBCYP2C9
SCHEMBL2575589 0.73 MAPK1 (0.51) CYP2C19KDM4EGAAPOLBCYP2C9
SCHEMBL26927066 0.73 MAPK1 (0.51) CYP2C19KDM4EGAAPOLBCYP2C9
SCHEMBL23950372 0.72 NLRP3 (0.42) KDM4ETSHRHTTALDH1A1SMN1; SMN2
SCHEMBL23952010 0.71 CYP2C19 (0.42) CYP2C19KDM4EGAAPOLBCYP2C9
SCHEMBL23925404 0.71 NLRP3 (0.42) CYP2C19KDM4EGAAPOLBCYP2C9
SCHEMBL23950364 0.71 KDM4E (0.43) CYP2C19KDM4EGAAPOLBCYP2C9

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 CYP2C19 1332/4885KDM4E 2355/4885GAA 3781/4885

“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.