SCHEMBL633585

SCHEMBL633585

Cc1ncc(-c2nc(N)ncc2F)n1C1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.39
MTOR P42345 6/20 0.39
AKT1 P31749 2/20 0.39
CDK2 P24941 1/20 0.38
KCNH2 Q12809 1/20 0.38
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
MAPK14 Q16539 1/20 0.36
ATM Q13315 1/20 0.36
ATR Q13535 1/20 0.36
PIK3R1 P27986 4/20 0.35
JAK3 P52333 1/20 0.33
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL1448068 0.88 CYP11B2 (0.34) PIK3CAMTORCDK2KCNH2
SCHEMBL14092794 0.87 CDK2 (0.39) PIK3CAMTORAKT1CDK2KCNH2
SCHEMBL4246503 0.87 ALDH1A1 (0.38) PIK3CAMTORCDK2KCNH2JAK2
SCHEMBL4426967 0.85 CDK2 (0.38) PIK3CAMTORAKT1CDK2KCNH2
SCHEMBL4249428 0.85 CDK2 (0.39) PIK3CACDK2JAK2JAK1MAPK14
SCHEMBL4251746 0.84 PIK3CA (0.36) PIK3CAMTORAKT1JAK2JAK1
SCHEMBL4968420 0.84 PIK3CA (0.35) PIK3CAMTORAKT1JAK2JAK1
SCHEMBL3937870 0.81 MAPK1 (0.48) CDK2KCNH2JAK2JAK1MAPK14
SCHEMBL4431054 0.78 MAPK8 (0.42) CDK2KCNH2JAK2JAK1MAPK14
SCHEMBL4425795 0.78 CDK2 (0.50) CDK2KCNH2JAK2MAPK14

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105252-A1 Pyrimidine Derivatives and Their Use in Therapy as well as the Use of Pyrimidine Derivatives in the Manufacture of a Medicament for Prevention and/or Treatment of Alzheimer's Disease ASTRAZENECA AB (SE) 2009-04-23 US claimed
EP-1945628-A1 NEW PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY AS WELL AS THE USE OF PYRIMIDINE DERIVATIVES IN THE MANUFACTURE OF A MEDICAMENT FOR PREVENTION AND/OR TREATMENT OF ALZHEIMER'S DISEASE AstraZeneca AB (SE) 2008-07-23 EP claimed
WO-2007040440-A1 NEW PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY AS WELL AS THE USE OF PYRIMIDINE DERIVATIVES IN THE MANUFACTURE OF A MEDICAMENT FOR PREVENTION AND/OR TREATMENT OF ALZHEIMER’S DISEASE ASTRAZENECA AB (SE) 2007-04-12 WO claimed
US-8178529-B2 Imidazole substituted pyrimidines ASTRAZENECA AB (SE) 2012-05-15 US disclosed
US-8178529-B2 Imidazole substituted pyrimidines ASTRAZENECA AB (SE) 2012-05-15 US disclosed
US-8178529-B2 Imidazole substituted pyrimidines ASTRAZENECA AB (SE) 2012-05-15 US disclosed
US-20120077813-A1 Imidazole Substituted Pyrimidines Useful in the Treatment of Glycogen Synthase Kinase-3 Related Disorders such as Alzheimer's Disease ASTRAZENECA AB (SE) 2012-03-29 US disclosed
US-20120077813-A1 Imidazole Substituted Pyrimidines Useful in the Treatment of Glycogen Synthase Kinase-3 Related Disorders such as Alzheimer's Disease ASTRAZENECA AB (SE) 2012-03-29 US disclosed
US-20120077813-A1 Imidazole Substituted Pyrimidines Useful in the Treatment of Glycogen Synthase Kinase-3 Related Disorders such as Alzheimer's Disease ASTRAZENECA AB (SE) 2012-03-29 US disclosed
EP-2419425-A1 IMIDAZOLE SUBSTITUTED PYRIMIDINES USEFUL IN THE TREATMENT OF GLYCOGEN SYNTHASE KINASE 3 RELATED DISORDERS SUCH AS ALZHEIMER'S DISEASE AstraZeneca AB (SE) 2012-02-22 EP disclosed
US-20100267723-A1 Imidazole Substituted Pyrimidines ASTRAZENECA AB (SE) 2010-10-21 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
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
EP-1945628-A1 NEW PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY AS WELL AS THE USE OF PYRIMIDINE DERIVATIVES IN THE MANUFACTURE OF A MEDICAMENT FOR PREVENTION AND/OR TREATMENT OF ALZHEIMER'S DISEASE AstraZeneca AB (SE) 2008-07-23 EP disclosed
WO-2008002244-A2 IMIDAZOL-PYRIMIDINE DERIVATIVES FOR TREATMENT OF DISEASES RELATED TO GLYCOGEN SYNTHASE KINASE (GSK3) ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
WO-2008002244-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
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-2007040440-A1 NEW PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY AS WELL AS THE USE OF PYRIMIDINE DERIVATIVES IN THE MANUFACTURE OF A MEDICAMENT FOR PREVENTION AND/OR TREATMENT OF ALZHEIMER’S DISEASE ASTRAZENECA AB (SE) 2007-04-12 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 (4 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 PIK3CA 42/4885MTOR 18/4885AKT1 15/4885
US-20120077813-A1 Imidazole Substituted Pyrimidines Useful in the Treatment of Glycogen Synthase Kinase-3 Related Disorders such as Alzheimer's Disease GSK3A, GSK3B, PYGB PIK3CA 193/4885MTOR 215/4885AKT1 27/4885
US-20090105252-A1 Pyrimidine Derivatives and Their Use in Therapy as well as the Use of Pyrimidine Derivatives in the Manufacture of a Medicament for Prevention and/or Treatment of Alzheimer's Disease DPYD, TYMS, TYMP PIK3CA 2569/4885MTOR 2035/4885AKT1 1726/4885
US-20100267723-A1 Imidazole Substituted Pyrimidines GSK3B, GSK3A, STK3 PIK3CA 272/4885MTOR 144/4885AKT1 29/4885

“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.