SCHEMBL25816718

SCHEMBL25816718

CCc1nn(CC(=O)OI)c(=O)c2cc(C3CC3)cn12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.40
POLB P06746 2/20 0.39
MAPT P10636 3/20 0.36
THRB P10828 1/20 0.36
TP53 P04637 4/20 0.36
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.35
NLRP3 Q96P20 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
SCHEMBL23952566 0.89 RXFP1 (0.46) RXFP1POLBTP53KMT2A
SCHEMBL23952585 0.88 POLB (0.42) RXFP1POLBMAPTTHRBTP53
SCHEMBL25815956 0.76 KCNH2 (0.35) POLB
SCHEMBL23952440 0.76 NLRP3 (0.58) RXFP1POLBMAPTTHRBTP53
SCHEMBL23952570 0.75 NLRP3 (0.42) RXFP1POLBTHRBTP53KMT2A
SCHEMBL25818895 0.74 NLRP3 (0.41) RXFP1POLBMAPTTHRBTP53
SCHEMBL23952439 0.74 MAPT (0.41) RXFP1POLBMAPTTP53NLRP3
SCHEMBL23952043 0.71 NLRP3 (0.46) THRBKMT2ANLRP3
SCHEMBL25816781 0.70 NLRP3 (0.45) POLBMAPTTP53KMT2ANPC1
SCHEMBL25816710 0.67 NLRP3 (0.51) POLBTP53KMT2ANPC1NLRP3

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 RXFP1 647/4885POLB 3251/4885MAPT 1978/4885

“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.