SCHEMBL25818840

SCHEMBL25818840

Cc1cnccc1NC(=O)Cn1nc(C(C)C)n2cc(Br)cc2c1=O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 8/20 0.55
MAPT P10636 6/20 0.46
RXFP1 Q9HBX9 3/20 0.46
TP53 P04637 2/20 0.40
FPR1 P21462 1/20 0.40
FPR2 P25090 1/20 0.40
THRB P10828 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL25818836 0.90 NLRP3 (0.57) NLRP3MAPTRXFP1TP53THRB
SCHEMBL23952032 0.90 NLRP3 (0.54) NLRP3MAPTRXFP1TP53FPR1
SCHEMBL25818811 0.89 NLRP3 (0.70) NLRP3MAPTRXFP1TP53THRB
SCHEMBL23952055 0.84 NLRP3 (0.64) NLRP3MAPTFPR1FPR2ALDH1A1
SCHEMBL23952369 0.83 NLRP3 (0.79) NLRP3MAPTRXFP1FPR1FPR2
SCHEMBL30061337 0.83 NLRP3 (0.79) NLRP3MAPTRXFP1FPR1FPR2
SCHEMBL23952195 0.80 NLRP3 (0.56) NLRP3MAPTRXFP1TP53POLB
SCHEMBL25818872 0.79 NLRP3 (0.55) NLRP3MAPTRXFP1TP53ALDH1A1
SCHEMBL23952384 0.79 NLRP3 (0.55) NLRP3MAPTRXFP1TP53POLB
SCHEMBL23952058 0.79 NLRP3 (0.54) NLRP3MAPTRXFP1TP53POLB

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 NLRP3 1/4885MAPT 1978/4885RXFP1 647/4885

“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.