SCHEMBL25753057

SCHEMBL25753057

Cc1nn(CC(=O)N[C@@H]2COC[C@H]2N2CCCCC2)c(=O)c2cc(C3CC3)nn12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.51
MDM4 O15151 1/20 0.44
MDM2 Q00987 1/20 0.44
POLB P06746 2/20 0.41
THRB P10828 2/20 0.39
UBE2N P61088 1/20 0.38
CHRNA7 P36544 2/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNA3 P32297 1/20 0.36
HTR3A P46098 1/20 0.36
TP53 P04637 1/20 0.36
KMT2A Q03164 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
SCHEMBL25753058 0.82 NLRP3 (0.52) NLRP3MDM4MDM2POLBTHRB
SCHEMBL23950818 0.80 NLRP3 (0.62) NLRP3MDM4MDM2POLBTHRB
SCHEMBL23950187 0.75 POLB (0.46) NLRP3MDM4MDM2POLBTHRB
SCHEMBL25754628 0.74 NLRP3 (0.50) NLRP3MDM4MDM2POLBTHRB
SCHEMBL23950842 0.73 NLRP3 (0.45) NLRP3MDM4MDM2POLBTHRB
SCHEMBL23950380 0.73 POLB (0.44) NLRP3MDM4MDM2POLBTHRB
SCHEMBL23950418 0.73 NLRP3 (0.43) NLRP3MDM4MDM2POLBTHRB
SCHEMBL23950819 0.72 THRB (0.48) NLRP3POLBTHRBUBE2NCHRNA7
SCHEMBL23950837 0.72 NLRP3 (0.44) NLRP3MDM4MDM2POLBTHRB
SCHEMBL25242095 0.71 NLRP3 (0.64) NLRP3MDM4MDM2POLBTHRB

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 NLRP3 1/4885MDM4 1571/4885MDM2 1190/4885

“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.