SCHEMBL25751776

SCHEMBL25751776

COc1ccc(-c2nn(CC(=O)N[C@H]3C[C@@](C)(O)C3)c(=O)c3cc(C4CC4)nn23)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
NLRP3 Q96P20 5/20 0.46
MDM4 O15151 1/20 0.45
MDM2 Q00987 1/20 0.45
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 1/20 0.42
THRB P10828 2/20 0.40
FPR1 P21462 1/20 0.39
FPR2 P25090 1/20 0.39
MAPT P10636 1/20 0.38
CHRNA7 P36544 1/20 0.38

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
SCHEMBL25282294 1.00 KMT2A (0.47) KMT2ANLRP3MDM4MDM2POLB
SCHEMBL23950528 0.86 NLRP3 (0.48) KMT2ANLRP3TP53THRBCHRNA7
SCHEMBL25285708 0.86 NLRP3 (0.48) KMT2ANLRP3TP53THRBCHRNA7
SCHEMBL25754628 0.85 NLRP3 (0.50) KMT2ANLRP3MDM4MDM2POLB
SCHEMBL23950831 0.83 NLRP3 (0.50) NLRP3TP53THRBCHRNA7
SCHEMBL23950511 0.81 NLRP3 (0.62) NLRP3TP53THRB
SCHEMBL23950530 0.80 NLRP3 (0.44) NLRP3TP53THRBCHRNA7
SCHEMBL23950527 0.80 NLRP3 (0.44) NLRP3TP53THRBCHRNA7
SCHEMBL25754620 0.79 NLRP3 (0.55) NLRP3TP53THRB
SCHEMBL23950649 0.78 NLRP3 (0.46) KMT2ANLRP3TP53THRBCHRNA7

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-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
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 KMT2A 3325/4885NLRP3 1/4885MDM4 1571/4885

“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.