SCHEMBL13531252

SCHEMBL13531252

CCOC(=O)c1cncnc1-c1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 6/20 0.53
▸ DBF4 Q9UBU7 6/20 0.53
▸ MAPK1 P28482 3/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ CASP1 P29466 1/20 0.50
▸ CSNK1D P48730 1/20 0.48
▸ JAK2 O60674 5/20 0.46
▸ JAK3 P52333 5/20 0.46
▸ GCGR P47871 1/20 0.45
▸ HPGD P15428 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ CLK1 P49759 1/20 0.44
▸ UBE2N P61088 1/20 0.44
▸ TSHR P16473 1/20 0.44

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
SCHEMBL1969795 0.89 ALDH1A1 (0.65) MAPK1NPSR1ALDH1A1LMNAMAPT
SCHEMBL6149056 0.86 ALDH1A1 (0.53) MAPK1NPSR1ALDH1A1LMNAMAPT
SCHEMBL24484277 0.84 MAPK1 (0.44) CDC7DBF4MAPK1NPSR1ALDH1A1
SCHEMBL27541726 0.82 MAPT (0.52) MAPK1ALDH1A1LMNAMAPTATM
SCHEMBL14840180 0.81 MAPK1 (0.56) CDC7DBF4MAPK1NPSR1ALDH1A1
SCHEMBL29453738 0.81 MAPK1 (0.56) CDC7DBF4MAPK1NPSR1ALDH1A1
SCHEMBL27681418 0.77 ALDH1A1 (0.56) CDC7DBF4MAPK1ALDH1A1LMNA
SCHEMBL26081233 0.77 KDM4E (0.45) CDC7DBF4ALDH1A1LMNAMAPT
SCHEMBL1669584 0.77 TSHR (0.48) MAPK1NPSR1ALDH1A1LMNAMAPT
SCHEMBL29906642 0.77 TSHR (0.48) MAPK1NPSR1ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-10-05 — — US disclosed
US-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-10-05 — — US disclosed
US-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-10-05 — — US disclosed
EP-4251618-A1 4-FLUORO-(4-(4-BENZYL)PIPERIDIN-1-YL)(2-(PYRIMIDIN-4-YL)PYRIDIN-3-YL)METHANONE DERIVATIVES AND SIMILAR COMPOUNDS AS CYP46A1 INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Sage Therapeutics, Inc. (US) 2023-10-04 — — EP disclosed
WO-2022115620-A1 4-FLUORO-(4-(4-BENZYL)PIPERIDIN-1-YL)(2-(PYRIMIDIN-4-YL)PYRIDIN-3-YL)METHANONE DERIVATIVES AND SIMILAR COMPOUNDS AS CYP46A1 INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS SAGE THERAPEUTICS, INC. (US) 2022-06-02 — — WO disclosed
WO-2022115620-A1 4-FLUORO-(4-(4-BENZYL)PIPERIDIN-1-YL)(2-(PYRIMIDIN-4-YL)PYRIDIN-3-YL)METHANONE DERIVATIVES AND SIMILAR COMPOUNDS AS CYP46A1 INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS SAGE THERAPEUTICS, INC. (US) 2022-06-02 — — WO disclosed
US-20100015382-A1 AZO METAL CHELATE DYE AND OPTICAL RECORDING MEDIUM MITSUBISHI KAGAKU MEDIA CO., LTD. (JP) 2010-01-21 — — 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-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF CYP46A1, CYP26A1, CYP4A22 CDC7 4456/4885DBF4 2729/4885MAPK1 1482/4885

“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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