SCHEMBL30059643

SCHEMBL30059643

CC(C)c1nn(CC(=O)Nc2ccncn2)c(=O)c2cc(I)cn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 10/20 1.00
DHODH Q02127 1/20 0.39
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NTRK1 P04629 3/20 0.37
MAPT P10636 4/20 0.37
RXFP1 Q9HBX9 2/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL23952059 1.00 NLRP3 (1.00) NLRP3DHODHTSHRHTTSMN1; SMN2
SCHEMBL23952390 0.89 NLRP3 (0.81) NLRP3DHODHTSHRHTTSMN1; SMN2
SCHEMBL23952442 0.89 NLRP3 (0.80) NLRP3DHODHTSHRHTTSMN1; SMN2
SCHEMBL25818822 0.89 NLRP3 (0.80) NLRP3DHODHTSHRHTTSMN1; SMN2
SCHEMBL23952054 0.88 NLRP3 (0.79) NLRP3DHODHTSHRHTTSMN1; SMN2
SCHEMBL30061337 0.88 NLRP3 (0.79) NLRP3DHODHTSHRHTTSMN1; SMN2
SCHEMBL23952369 0.88 NLRP3 (0.79) NLRP3DHODHTSHRHTTSMN1; SMN2
SCHEMBL23952057 0.88 NLRP3 (0.79) NLRP3DHODHTSHRHTTSMN1; SMN2
SCHEMBL23925594 0.87 NLRP3 (0.78) NLRP3DHODHTSHRHTTSMN1; SMN2
SCHEMBL23952202 0.87 NLRP3 (0.78) NLRP3DHODHTSHRHTTSMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4135842-B1 PYRROLO[1,2-D][1,2,4]TRIAZINE-2-YL-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY JANSSEN PHARMACEUTICA NV (BE) 2024-10-23 EP disclosed
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
EP-4135842-A1 PYRROLO[1,2-D][1,2,4]TRIAZINE-2-YL-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY JANSSEN Pharmaceutica NV (BE) 2023-02-22 EP disclosed
CN-115485026-A Pyrazolo [1,2-D ] [1,2,4] triazin-2-yl-acetamides as NLRP3 inflammatory pathway inhibitors 詹森药业有限公司 2022-12-16 CN 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 1/4885DHODH 1822/4885TSHR 4216/4885

“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.