SCHEMBL4438545

SCHEMBL4438545

CC(=O)N1CCCN(Cc2ccc(Nc3ncc(F)c(-c4cnc(C)n4C4CCOCC4)n3)cn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.44
CDK1 P06493 8/20 0.44
KCNH2 Q12809 5/20 0.43
CCNT1 O60563 2/20 0.40
CDK9 P50750 2/20 0.40
CCNE1 P24864 1/20 0.40
PDE7A Q13946 1/20 0.40
JAK2 O60674 1/20 0.40
CDK4 P11802 2/20 0.39
CCND3 P30281 2/20 0.39
CCND1 P24385 1/20 0.39
CCND2 P30279 1/20 0.39
LRRK2 Q5S007 1/20 0.39
CCNK O75909 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
CDK7 P50613 1/20 0.39
CCNH P51946 1/20 0.39
CDK12 Q9NYV4 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
SCHEMBL4435674 0.92 CDK2 (0.49) CDK2CDK1KCNH2JAK2CDK4
SCHEMBL4433038 0.90 CDK2 (0.49) CDK2CDK1KCNH2JAK2CDK4
SCHEMBL4434460 0.90 CDK2 (0.48) CDK2CDK1KCNH2JAK2CDK4
SCHEMBL4432737 0.89 CDK2 (0.45) CDK2CDK1KCNH2CDK9CDK4
SCHEMBL4430574 0.88 CDK2 (0.49) CDK2CDK1KCNH2PDE7AJAK2
SCHEMBL3939760 0.88 CDK2 (0.51) CDK2CDK1KCNH2JAK2CDK4
SCHEMBL14092821 0.85 CDK2 (0.46) CDK2CDK1KCNH2JAK2CDK4
SCHEMBL4436531 0.85 CDK2 (0.47) CDK2CDK1KCNH2CCNT1CDK9
SCHEMBL3942209 0.84 CDK2 (0.48) CDK2CDK1KCNH2CDK4CCND1
SCHEMBL4992467 0.84 CDK2 (0.43) CDK2CDK1KCNH2CCNE1JAK2

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 145/4885KCNH2 3601/4885

“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.