SCHEMBL25753058

SCHEMBL25753058

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.52
THRB P10828 2/20 0.39
POLB P06746 2/20 0.39
UBE2N P61088 1/20 0.37
TP53 P04637 1/20 0.36
KMT2A Q03164 2/20 0.36
MDM4 O15151 1/20 0.35
MDM2 Q00987 1/20 0.35
MEN1 O00255 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CHRNA1 P02708 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
HTR3A P46098 1/20 0.34

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
SCHEMBL25753057 0.82 NLRP3 (0.51) NLRP3THRBPOLBUBE2NTP53
SCHEMBL23950818 0.79 NLRP3 (0.62) NLRP3THRBPOLBUBE2NTP53
SCHEMBL23950187 0.75 POLB (0.46) NLRP3THRBPOLBUBE2NKMT2A
SCHEMBL25754628 0.75 NLRP3 (0.50) NLRP3THRBPOLBUBE2NTP53
SCHEMBL23950383 0.74 NLRP3 (0.66) NLRP3THRB
SCHEMBL23950380 0.74 POLB (0.44) NLRP3THRBPOLBUBE2NTP53
SCHEMBL23950418 0.73 NLRP3 (0.43) NLRP3THRBPOLBUBE2NKMT2A
SCHEMBL23950819 0.73 THRB (0.48) NLRP3THRBPOLBUBE2NTP53
SCHEMBL23950385 0.72 NLRP3 (0.61) NLRP3THRBTP53CHRNA1CHRNA3
SCHEMBL23950842 0.72 NLRP3 (0.45) NLRP3THRBPOLBUBE2NTP53

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 1/4885THRB 2320/4885POLB 4527/4885

“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.