SCHEMBL25753769

SCHEMBL25753769

CC[C@@H](CO)NC(=O)Cn1nc(C(C)O)n2nc(C(C)C)cc2c1=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 11/20 0.39
MAPT P10636 1/20 0.39
TP53 P04637 3/20 0.37
FPR1 P21462 1/20 0.34
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34
SAE1 Q9UBE0 1/20 0.34
UBA2 Q9UBT2 1/20 0.34
KCNH2 Q12809 1/20 0.33

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
SCHEMBL23950422 0.81 LMNA (0.38) NLRP3
SCHEMBL23950522 0.77 KDM4E (0.42)
SCHEMBL23950430 0.76 NLRP3 (0.61) NLRP3TP53KCNH2
SCHEMBL23950434 0.75 NLRP3 (0.65) NLRP3TP53FPR1FPR3FPR2
SCHEMBL23950174 0.73 NLRP3 (0.42) NLRP3KCNH2
SCHEMBL23898870 0.73 NLRP3 (0.63) NLRP3KCNH2
SCHEMBL23950167 0.72 NLRP3 (0.42) NLRP3TP53FPR1FPR3FPR2
SCHEMBL23950423 0.71 NLRP3 (0.72) NLRP3FPR1FPR3FPR2
SCHEMBL25819173 0.70 NLRP3 (0.54) NLRP3MAPTTP53
SCHEMBL23950364 0.70 KDM4E (0.43) NLRP3

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 1/4885MAPT 1369/4885TP53 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.