SCHEMBL4430574

SCHEMBL4430574

Cc1ncc(-c2nc(Nc3ccc(CN4CCCOCC4)nc3)ncc2F)n1C1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.49
KCNH2 Q12809 4/20 0.49
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
CDK1 P06493 7/20 0.39
JAK2 O60674 2/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
PDE7A Q13946 1/20 0.37
CDK4 P11802 2/20 0.37
CDK6 Q00534 1/20 0.37
CCND1 P24385 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
MAPK14 Q16539 1/20 0.37

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
SCHEMBL3939760 0.97 CDK2 (0.51) CDK2KCNH2AURKAAURKBCDK1
SCHEMBL4433038 0.96 CDK2 (0.49) CDK2KCNH2CDK1JAK2CDK4
SCHEMBL4435674 0.96 CDK2 (0.49) CDK2KCNH2AURKAAURKBCDK1
SCHEMBL4434460 0.95 CDK2 (0.48) CDK2KCNH2CDK1JAK2CDK4
SCHEMBL4432737 0.91 CDK2 (0.45) CDK2KCNH2CDK1CDK4CDK6
SCHEMBL4436531 0.91 CDK2 (0.47) CDK2KCNH2CDK1JAK2JAK1
SCHEMBL3942209 0.90 CDK2 (0.48) CDK2KCNH2CDK1CDK4CCND1
SCHEMBL4436650 0.89 CDK2 (0.46) CDK2KCNH2AURKAAURKBCDK1
SCHEMBL14092821 0.89 CDK2 (0.46) CDK2KCNH2CDK1JAK2JAK1
SCHEMBL4428626 0.89 CDK2 (0.46) CDK2KCNH2AURKAAURKBCDK1

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 328/4885KCNH2 3601/4885AURKA 209/4885

“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.