SCHEMBL4428042

SCHEMBL4428042

Cc1ncc(-c2nc(NC3CCN(Cc4ccccc4)CC3)ncc2F)n1C1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.45
BACE1 P56817 8/20 0.45
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 4/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CDK2 P24941 1/20 0.40
KCNH2 Q12809 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
SCHEMBL4431545 0.86 CCNE1 (0.43) MAPK1CDK2
SCHEMBL3938924 0.86 MAPK11 (0.47) MAPK1CDK2KCNH2
SCHEMBL3937870 0.85 MAPK1 (0.48) MAPK1JAK2JAK1CDK2KCNH2
SCHEMBL3945490 0.84 CDK2 (0.39) MAPK1CDK2KCNH2
SCHEMBL3937191 0.84 CDK2 (0.48) MAPK1CDK2
SCHEMBL4199373 0.83 CDK2 (0.52) ACHEBACE1KDM4EGAACDK2
SCHEMBL3939386 0.83 CDK2 (0.46) MAPK1CDK2
SCHEMBL3944169 0.83 CDK2 (0.49) MAPK1CDK2KCNH2
SCHEMBL634564 0.82 CDK2 (0.55) JAK2CDK2KCNH2
SCHEMBL4431054 0.82 MAPK8 (0.42) MAPK1JAK2JAK1CDK2KCNH2

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
EP-2046783-A2 IMIDAZOL-PYRIMIDINE DERIVATIVES FOR TREATMENT OF DISEASES RELATED TO GLYCOGEN SYNTHASE KINASE (GSK3) AstraZeneca AB (SE) 2009-04-15 EP claimed
WO-2008002245-A2 IMIDAZOL-PYRIMIDINE DERIVATIVES FOR TREATMENT OF DISEASES RELATED TO GLYCOGEN SYNTHASE KINASE (GSK3) ASTRAZENECA AB (SE) 2008-01-03 WO claimed
EP-2046783-A2 IMIDAZOL-PYRIMIDINE DERIVATIVES FOR TREATMENT OF DISEASES RELATED TO GLYCOGEN SYNTHASE KINASE (GSK3) AstraZeneca AB (SE) 2009-04-15 EP disclosed
US-20080188503-A1 5-Fluoro-4-[2-methyl-1-(tetrahydro-2H-pyran-4-yl)-1H-imidazol-5-yl]-N-pyrimidin-5-ylpyrimidin-2-amine; Alzheimer's Disease (AD) Dementias, and Taupathies; GSK3 inhibitors in inflammatory diseases ASTRAZENACA AB (SE) 2008-08-07 US disclosed
US-20080188503-A1 5-Fluoro-4-[2-methyl-1-(tetrahydro-2H-pyran-4-yl)-1H-imidazol-5-yl]-N-pyrimidin-5-ylpyrimidin-2-amine; Alzheimer's Disease (AD) Dementias, and Taupathies; GSK3 inhibitors in inflammatory diseases ASTRAZENACA AB (SE) 2008-08-07 US disclosed
US-20080188503-A1 5-Fluoro-4-[2-methyl-1-(tetrahydro-2H-pyran-4-yl)-1H-imidazol-5-yl]-N-pyrimidin-5-ylpyrimidin-2-amine; Alzheimer's Disease (AD) Dementias, and Taupathies; GSK3 inhibitors in inflammatory diseases ASTRAZENACA AB (SE) 2008-08-07 US disclosed
WO-2008002245-A2 IMIDAZOL-PYRIMIDINE DERIVATIVES FOR TREATMENT OF DISEASES RELATED TO GLYCOGEN SYNTHASE KINASE (GSK3) ASTRAZENECA AB (SE) 2008-01-03 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-20080188503-A1 5-Fluoro-4-[2-methyl-1-(tetrahydro-2H-pyran-4-yl)-1H-imidazol-5-yl]-N-pyrimidin-5-ylpyrimidin-2-amine; Alzheimer's Disease (AD) Dementias, and Taupathies; GSK3 inhibitors in inflammatory diseases GSK3B, GSK3A, MAPT ACHE 707/4885BACE1 7/4885KDM4E 608/4885

“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.