Sugi Predict

Sugi Predict / Compounds / SCHEMBL23950391

SCHEMBL23950391

SCHEMBL23950391

Nc1ccc(=O)n(CC2CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PI4KA P42356 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ PI4KB Q9UBF8 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ DPP7 Q9UHL4 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CYP19A1 P11511 2/20 0.35
▸ BMPR1A P36894 1/20 0.35
▸ ACVRL1 P37023 1/20 0.35
▸ ACVR1 Q04771 1/20 0.35

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
SCHEMBL17120437 0.78 ALDH1A1 (0.51) DPP4DPP7ALDH1A1BMPR1AACVRL1
SCHEMBL120724 0.78 HTR7 (0.39) CA12CA1CA2CA9KMT2A
SCHEMBL29284915 0.76 CA1 (0.47) CA12CA1CA2CA9ALDH1A1
SCHEMBL21350503 0.74 MAPT (0.48) DPP4DPP7ALDH1A1CYP3A4BMPR1A
SCHEMBL23950575 0.74 ADORA2B (0.38) CA12CA1CA2CA9DPP4
SCHEMBL17522927 0.74 DPP4 (0.33) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL15719392 0.73 SIGMAR1 (0.49) MEN1KMT2ASMN1; SMN2
SCHEMBL12575366 0.72 MAPT (0.43) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL24583674 0.71 MAPT (0.49) ALDH1A1BMPR1AACVRL1ACVR1OPRM1
SCHEMBL16465276 0.71 BMPR1A (0.41) ALDH1A1KMT2ABMPR1AACVRL1ACVR1

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 6 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
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
EP-4135843-A1 PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY JANSSEN Pharmaceutica NV (BE) 2023-02-22 — — EP disclosed
CN-115427110-A Pyrazolo [1,5-D ] [1,2,4] triazine-5 (4H) acetamide as an NLRP3 inflammatory pathway inhibitor 詹森药业有限公司 2022-12-02 — — CN disclosed
WO-2021209552-A1 PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY JANSSEN PHARMACEUTICA NV (BE) 2021-10-21 — — WO 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 PIK3CD 2771/4885PIK3CA 1906/4885PI4KA 2434/4885

“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.