SCHEMBL4433010

SCHEMBL4433010

Cc1ncc(-c2nc(NC3CCN(C(=O)C(F)(F)F)CC3)ncc2F)n1C1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.42
CDK1 P06493 9/20 0.42
CCNE1 P24864 4/20 0.42
CCNB1 P14635 3/20 0.42
TYRO3 Q06418 2/20 0.41
MERTK Q12866 2/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCND3 P30281 1/20 0.41
CDK6 Q00534 1/20 0.41
MAPK1 P28482 3/20 0.40
CCNB2 O95067 1/20 0.39
CCNE2 O96020 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
KCNH2 Q12809 2/20 0.39
MAPK8 P45983 2/20 0.38
MAPK9 P45984 2/20 0.38
MAPK10 P53779 2/20 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
SCHEMBL4431115 0.90 CDK2 (0.43) CDK2CDK1CCNE1CCNB1CDK4
SCHEMBL3945478 0.90 CDK2 (0.43) CDK2CDK1CCNE1CCNB1CDK4
SCHEMBL4428655 0.87 MAPK1 (0.47) CDK2CDK1CCNE1CCNB1CDK4
SCHEMBL3937870 0.86 MAPK1 (0.48) CDK2CDK1CCNE1CCNB1CDK4
SCHEMBL3944169 0.85 CDK2 (0.49) CDK2CDK1CCNE1CCNB1CDK4
SCHEMBL3938924 0.83 MAPK11 (0.47) CDK2CDK1CDK4CCND1MAPK1
SCHEMBL4431054 0.83 MAPK8 (0.42) CDK2CDK1CCNE1CCNB1CDK4
SCHEMBL3936364 0.83 CCNE1 (0.58) CDK2CDK1CCNE1CCNB1CDK4
SCHEMBL3937191 0.81 CDK2 (0.48) CDK2CDK1CDK4CCND1MAPK1
SCHEMBL3945490 0.81 CDK2 (0.39) CDK2CDK1CCNE1CCNB1CDK4

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 6 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 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
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 CDK2 328/4885CDK1 145/4885CCNE1 3534/4885

“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.