SCHEMBL24484277

SCHEMBL24484277

CCOC(=O)c1cncnc1-c1ccncn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CASP1 P29466 1/20 0.43
▸ CDC7 O00311 1/20 0.43
▸ DBF4 Q9UBU7 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ NAMPT P43490 1/20 0.41
▸ GABRA5 P31644 3/20 0.41
▸ JAK2 O60674 4/20 0.40
▸ JAK3 P52333 4/20 0.40
▸ NUDT1 P36639 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CSNK1D P48730 1/20 0.40
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ MEN1 O00255 1/20 0.38

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
SCHEMBL14840570 0.85 TSHR (0.49) MAPK1ALDH1A1LMNAMAPTATM
SCHEMBL13531252 0.84 CDC7 (0.53) MAPK1ALDH1A1LMNAMAPTATM
SCHEMBL1969795 0.79 ALDH1A1 (0.65) MAPK1ALDH1A1LMNAMAPTATM
SCHEMBL26081234 0.79 BRD4 (0.47) MAPK1MAPTCASP1CDC7DBF4
SCHEMBL22719443 0.78 TSHR (0.54) MAPK1ALDH1A1MAPTCASP1TSHR
SCHEMBL24484273 0.77 CAMKK2 (0.45) ALDH1A1MAPTTSHRGABRA5NPSR1
SCHEMBL19737845 0.77 PDE4B (0.40) MAPK1ALDH1A1LMNAMAPTATM
SCHEMBL6149056 0.77 ALDH1A1 (0.53) MAPK1ALDH1A1LMNAMAPTATM
SCHEMBL1776597 0.76 GABRA5 (0.52) MAPK1ALDH1A1LMNAMAPTATM
SCHEMBL27681418 0.76 ALDH1A1 (0.56) MAPK1ALDH1A1LMNAMAPTATM

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
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
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

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 MAPK1 1482/4885ALDH1A1 111/4885LMNA 2941/4885

“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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