SCHEMBL23950470

SCHEMBL23950470

CCOC(=O)Cn1nc(Br)n2nc(C3CC3)cc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
NLRP3 Q96P20 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2C19 P33261 2/20 0.39
POLB P06746 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 3/20 0.38
MAPK1 P28482 1/20 0.37
BRD4 O60885 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL23950582 0.88 KDM4E (0.41) KDM4EGAANLRP3ALDH1A1HTT
SCHEMBL23950168 0.85 KDM4E (0.39) KDM4EGAANLRP3ALDH1A1HTT
SCHEMBL23950211 0.85 NLRP3 (0.55) KDM4EGAANLRP3ALDH1A1HTT
SCHEMBL23950798 0.83 NLRP3 (0.38) KDM4EGAANLRP3ALDH1A1HTT
SCHEMBL23950486 0.83 NLRP3 (0.42) KDM4EGAANLRP3ALDH1A1HTT
SCHEMBL23950477 0.81 CYP2C19 (0.43) KDM4EGAAALDH1A1HTTSMN1; SMN2
SCHEMBL23950467 0.81 KDM4E (0.42) KDM4EGAAALDH1A1HTTSMN1; SMN2
SCHEMBL23950793 0.80 POLB (0.38) KDM4EGAANLRP3ALDH1A1HTT
SCHEMBL23950170 0.79 NLRP3 (0.37) KDM4EGAANLRP3ALDH1A1HTT
SCHEMBL23950380 0.78 POLB (0.44) NLRP3SMN1; SMN2POLBMEN1KMT2A

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 KDM4E 2355/4885GAA 3781/4885NLRP3 1/4885

“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.