SCHEMBL25815490

SCHEMBL25815490

CCOC(=O)Cn1nc(C(C)C)n2cc(-c3ccccc3)cc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP2C19 P33261 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP3A4 P08684 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
BRD4 O60885 1/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 1/20 0.43
NLRP3 Q96P20 1/20 0.42

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
SCHEMBL25816790 0.88 NLRP3 (0.45) GAATSHRHTTMEN1KMT2A
SCHEMBL23952602 0.88 NLRP3 (0.47) NLRP3
SCHEMBL23952011 0.84 CYP2C19 (0.46) GAAHTTMEN1KMT2ACYP2C19
SCHEMBL23952567 0.83 NLRP3 (0.50) GAAHTTMEN1KMT2ACYP2C19
SCHEMBL23925366 0.82 NLRP3 (0.57) GAAHTTMEN1KMT2ACYP2C19
SCHEMBL23952007 0.82 POLB (0.48) GAAHTTMEN1KMT2ACYP2C19
SCHEMBL23952562 0.82 GAA (0.44) GAAHTTMEN1KMT2ACYP2C19
SCHEMBL23952008 0.82 MAPK8 (0.44) GAATSHRHTTMEN1KMT2A
SCHEMBL23925404 0.82 NLRP3 (0.42) GAAHTTMEN1KMT2ACYP2C19
SCHEMBL23925373 0.81 NLRP3 (0.44) GAATSHRHTTMEN1KMT2A

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 2 patents. 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
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 GAA 4318/4885TSHR 4216/4885HTT 3550/4885

“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.