SCHEMBL25754562

SCHEMBL25754562

C[C@]1(O)C[C@@H](NC(=O)Cn2nc(CC3CCC3)n3nc(C4CC4)cc3c2=O)C1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 8/20 0.47
THRB P10828 2/20 0.38
TP53 P04637 2/20 0.38
CHRNA7 P36544 3/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNA3 P32297 1/20 0.36
HTR3A P46098 1/20 0.36
HPGDS O60760 2/20 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
SCHEMBL23950647 0.89 NLRP3 (0.43) NLRP3THRBTP53CHRNA7CHRNA1
SCHEMBL23950649 0.86 NLRP3 (0.46) NLRP3THRBTP53CHRNA7CHRNA1
SCHEMBL23950831 0.85 NLRP3 (0.50) NLRP3THRBTP53CHRNA7CHRNA1
SCHEMBL25754628 0.85 NLRP3 (0.50) NLRP3THRBTP53CHRNA7CHRNA1
SCHEMBL23950530 0.83 NLRP3 (0.44) NLRP3THRBTP53CHRNA7HPGDS
SCHEMBL23950527 0.83 NLRP3 (0.44) NLRP3THRBTP53CHRNA7HPGDS
SCHEMBL23950511 0.83 NLRP3 (0.62) NLRP3THRBTP53HPGDS
SCHEMBL23950545 0.83 NLRP3 (0.44) NLRP3THRBTP53CHRNA7CHRNA1
SCHEMBL25290583 0.83 NLRP3 (0.44) NLRP3THRBTP53CHRNA7CHRNA1
SCHEMBL23950528 0.83 NLRP3 (0.48) NLRP3THRBTP53CHRNA7CHRNA1

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 2320/4885TP53 2445/4885

“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.