SCHEMBL25816228

SCHEMBL25816228

CCOC(=O)Cn1nc(C(C)C)n2cc(C(C)I)cc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.46
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 3/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 1/20 0.38
MAPK8 P45983 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
BRD4 O60885 1/20 0.37
TSHR P16473 1/20 0.35

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
SCHEMBL23952567 0.92 NLRP3 (0.50) NLRP3KDM4EMEN1KMT2AALDH1A1
SCHEMBL23925373 0.90 NLRP3 (0.44) NLRP3KDM4EMEN1KMT2AALDH1A1
SCHEMBL23925588 0.89 NLRP3 (0.44) NLRP3KDM4EMEN1KMT2AALDH1A1
SCHEMBL23925301 0.89 NLRP3 (0.44) NLRP3KDM4EMEN1KMT2AALDH1A1
SCHEMBL23925304 0.88 NLRP3 (0.43) NLRP3KDM4EMEN1KMT2AALDH1A1
SCHEMBL23925366 0.86 NLRP3 (0.57) NLRP3KDM4EMEN1KMT2AALDH1A1
SCHEMBL23952011 0.86 CYP2C19 (0.46) NLRP3KDM4EMEN1KMT2AALDH1A1
SCHEMBL23952153 0.85 KDM4E (0.44) NLRP3KDM4EMEN1KMT2AALDH1A1
SCHEMBL23925404 0.84 NLRP3 (0.42) NLRP3KDM4EMEN1KMT2AALDH1A1
SCHEMBL23952007 0.84 POLB (0.48) NLRP3KDM4EMEN1KMT2AALDH1A1

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-20230183248-A1 PYRROLO[1,2-D][1,2,4]TRIAZINE-2-YL-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY JANSSEN PHARMACEUTICA NV (BE) 2023-06-15 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-20230183248-A1 PYRROLO[1,2-D][1,2,4]TRIAZINE-2-YL-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY NLRP3, NLRP1, IL1B NLRP3 1/4885KDM4E 3436/4885MEN1 3754/4885

“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.