SCHEMBL4428655

SCHEMBL4428655

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 7/20 0.47
CDK4 P11802 4/20 0.45
CCND1 P24385 4/20 0.45
CCND3 P30281 3/20 0.45
CDK6 Q00534 2/20 0.45
DYRK2 Q92630 2/20 0.42
CDK1 P06493 3/20 0.40
CDK2 P24941 3/20 0.40
ADORA2A P29274 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CCND2 P30279 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
IDH1 O75874 1/20 0.39
IDH2 P48735 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNE1 P24864 1/20 0.39

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
SCHEMBL3945478 0.88 CDK2 (0.43) MAPK1CDK4CCND1CCND3CDK6
SCHEMBL4431115 0.88 CDK2 (0.43) MAPK1CDK4CCND1CCND3CDK6
SCHEMBL4433010 0.87 CDK2 (0.42) MAPK1CDK4CCND1CCND3CDK6
SCHEMBL3937191 0.84 CDK2 (0.48) MAPK1CDK4CCND1CDK1CDK2
SCHEMBL3937870 0.84 MAPK1 (0.48) MAPK1CDK4CCND1CCND3CDK6
SCHEMBL3944169 0.83 CDK2 (0.49) MAPK1CDK4CCND1CDK1CDK2
SCHEMBL3938924 0.81 MAPK11 (0.47) MAPK1CDK4CCND1CDK1CDK2
SCHEMBL4431054 0.81 MAPK8 (0.42) MAPK1CDK4CCND1CCND3CDK6
SCHEMBL3936364 0.81 CCNE1 (0.58) CDK4CCND1CDK6CDK1CDK2
SCHEMBL4443719 0.80 MAPK1 (0.39) MAPK1CDK4CCND1CCND3CDK6

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 MAPK1 37/4885CDK4 638/4885CCND1 3139/4885

“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.