SCHEMBL25752450

SCHEMBL25752450

CCOC(=O)Cn1nc(C(C)C)n2nc(C3CC3)c(NO)c2c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HPGD P15428 3/20 0.38
GAA P10253 2/20 0.35
NLRP3 Q96P20 1/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 1/20 0.33
CNR1 P21554 1/20 0.33
POLB P06746 2/20 0.32
MAPK1 P28482 1/20 0.32
TOP2A P11388 1/20 0.32
TOP2B Q02880 1/20 0.32

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
SCHEMBL23950967 0.90 CYP2C19 (0.35) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL23950194 0.87 NLRP3 (0.37) NLRP3
SCHEMBL23950797 0.86 TOP2A (0.38) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL25752270 0.84 GAA (0.35) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL25247216 0.82 HTT (0.35) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL23950971 0.82 GAA (0.33) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL25753005 0.78 NLRP3 (0.51) KMT2ANLRP3RAB9A
SCHEMBL23950211 0.74 NLRP3 (0.55) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL25752994 0.74 NLRP3 (0.61) ALDH1A1HPGDNLRP3HTT
SCHEMBL23950186 0.72 NLRP3 (0.36) NLRP3LMNATSHRTOP2ATOP2B

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 1 patent. 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

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 2355/4885ALDH1A1 268/4885MEN1 2992/4885

“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.