SCHEMBL25819106

SCHEMBL25819106

CCCCc1nn(CC(=O)N(C)[C@H]2C[C@@](C)(O)C2)c(=O)c2cc(C(C)C)cn12

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
NLRP3 Q96P20 6/20 0.37
POLB P06746 1/20 0.31

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
SCHEMBL25817916 0.86 NLRP3 (0.48) KMT2ANLRP3
SCHEMBL25815609 0.83 NLRP3 (0.51) KMT2ANLRP3
SCHEMBL25819124 0.81 NLRP3 (0.42) KMT2ANLRP3
SCHEMBL25819148 0.81 NLRP3 (0.37) KMT2ANLRP3
SCHEMBL23952204 0.80 NLRP3 (0.41) NLRP3POLB
SCHEMBL23952047 0.78 NLRP3 (0.40) NLRP3POLB
SCHEMBL23952194 0.78 KDM4E (0.41) KMT2ANLRP3POLB
SCHEMBL25817738 0.76 NLRP3 (0.48) NLRP3
SCHEMBL25819114 0.75 NLRP3 (0.43) NLRP3POLB
SCHEMBL25819090 0.73 NLRP3 (0.42) KMT2ANLRP3

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-20230183248-A1 PYRROLO[1,2-D][1,2,4]TRIAZINE-2-YL-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY JANSSEN PHARMACEUTICA NV (BE) 2023-06-15 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-20230183248-A1 PYRROLO[1,2-D][1,2,4]TRIAZINE-2-YL-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY NLRP3, NLRP1, IL1B KMT2A 3736/4885NLRP3 1/4885POLB 3251/4885

“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.