SCHEMBL26675338

SCHEMBL26675338

Cc1ccccc1C(=O)n1nc(N)c2ccc(C3CC3)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP3 O14638 2/20 0.42
▸ ALPL P05186 2/20 0.42
▸ XIAP P98170 2/20 0.42
▸ MAPT P10636 4/20 0.41
▸ HTT P42858 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ ELANE P08246 4/20 0.39
▸ TTR P02766 1/20 0.39
▸ CRACR2A Q9BSW2 1/20 0.39
▸ SRC P12931 1/20 0.36
▸ ITGB1 P05556 2/20 0.36
▸ ITGA5 P08648 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ HSD11B1 P28845 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
SCHEMBL26675330 0.96 ENPP3 (0.41) ENPP3ALPLXIAPMAPTHTT
SCHEMBL26675349 0.96 ENPP3 (0.41) ENPP3ALPLXIAPMAPTHTT
SCHEMBL30600511 0.96 ENPP3 (0.41) ENPP3ALPLXIAPMAPTHTT
SCHEMBL26675328 0.91 HCRTR1 (0.38) ENPP3ALPLXIAPMAPTHTT
SCHEMBL30600526 0.91 HCRTR1 (0.38) ENPP3ALPLXIAPMAPTHTT
SCHEMBL26675311 0.88 MAPT (0.42) MAPTHTTSMN1; SMN2TP53PKM
SCHEMBL30600513 0.88 MAPT (0.42) MAPTHTTSMN1; SMN2TP53PKM
SCHEMBL26834620 0.87 ENPP3 (0.43) ENPP3ALPLXIAPMAPTHTT
SCHEMBL30600505 0.87 ENPP3 (0.43) ENPP3ALPLXIAPMAPTHTT
SCHEMBL29767965 0.87 ENPP3 (0.41) ENPP3ALPLXIAPMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630549-B2 Pyrazoleamide derivatives HOFFMANN-LA ROCHE INC. (US) 2026-05-19 — — US claimed
EP-4284797-A1 PYRAZOLEAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-12-06 — — EP claimed
US-20230382911-A1 PYRAZOLEAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-11-30 — — US claimed
CN-116867782-A Pyrazole amide derivative 豪夫迈·罗氏有限公司 2023-10-10 — — CN claimed
WO-2022162034-A1 PYRAZOLEAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2022-08-04 — — WO claimed
US-12630549-B2 Pyrazoleamide derivatives HOFFMANN-LA ROCHE INC. (US) 2026-05-19 — — US disclosed
EP-4284797-A1 PYRAZOLEAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-12-06 — — EP disclosed
US-20230382911-A1 PYRAZOLEAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-11-30 — — US disclosed
US-20230382911-A1 PYRAZOLEAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-11-30 — — US disclosed
US-20230382911-A1 PYRAZOLEAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-11-30 — — US disclosed
CN-116867782-A Pyrazole amide derivative 豪夫迈·罗氏有限公司 2023-10-10 — — CN disclosed
WO-2022162034-A1 PYRAZOLEAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2022-08-04 — — 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 (2 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-20230382911-A1 PYRAZOLEAMIDE DERIVATIVES P2RY1, P2RX1, P2RX5 ENPP3 1560/4885ALPL 3520/4885XIAP 4154/4885
US-12630549-B2 Pyrazoleamide derivatives CYP11B2, CYP11B1, ADRA1B ENPP3 2958/4885ALPL 3830/4885XIAP 4785/4885

“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.

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