SCHEMBL29767951

SCHEMBL29767951

Cc1ccccc1C(=O)n1nc(N)c2ccc(N3CCCC3)nc21

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 13/20 0.49
▸ ATM Q13315 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ENPP3 O14638 2/20 0.41
▸ ALPL P05186 2/20 0.41
▸ XIAP P98170 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ TP53 P04637 1/20 0.40
▸ PKM P14618 1/20 0.40

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
SCHEMBL26675388 1.00 GBA1 (0.49) GBA1ATML3MBTL1ALDH1A1MAPT
SCHEMBL26675390 0.87 SMN1; SMN2 (0.52) GBA1L3MBTL1ALDH1A1MAPTSMN1; SMN2
SCHEMBL29767973 0.87 SMN1; SMN2 (0.52) GBA1L3MBTL1ALDH1A1MAPTSMN1; SMN2
SCHEMBL30600514 0.86 GBA1 (0.42) GBA1ALDH1A1MAPTSMN1; SMN2ENPP3
SCHEMBL26675357 0.86 GBA1 (0.42) GBA1ALDH1A1MAPTSMN1; SMN2ENPP3
SCHEMBL26675414 0.86 HSD17B10 (0.47) ALDH1A1MAPTSMN1; SMN2HTTTP53
SCHEMBL29767967 0.86 HSD17B10 (0.47) ALDH1A1MAPTSMN1; SMN2HTTTP53
SCHEMBL29767955 0.84 HSD17B10 (0.47) ALDH1A1MAPTSMN1; SMN2HTTTP53
SCHEMBL26675397 0.84 HSD17B10 (0.47) ALDH1A1MAPTSMN1; SMN2HTTTP53
SCHEMBL29767966 0.83 GBA1 (0.55) GBA1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4284797-A1 PYRAZOLEAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-12-06 — — EP 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
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 GBA1 510/4885ATM 3197/4885L3MBTL1 4647/4885
US-12630549-B2 Pyrazoleamide derivatives CYP11B2, CYP11B1, ADRA1B GBA1 2014/4885ATM 1826/4885L3MBTL1 4689/4885

“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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