SCHEMBL3939760

SCHEMBL3939760

Cc1ncc(-c2nc(Nc3ccc(CN4CCOCC4)nc3)ncc2F)n1C1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.51
KCNH2 Q12809 5/20 0.51
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
CDK1 P06493 6/20 0.41
JAK2 O60674 2/20 0.40
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39
SYK P43405 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
MAPK14 Q16539 1/20 0.39
CDK4 P11802 1/20 0.39
CDK6 Q00534 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 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
SCHEMBL4430574 0.97 CDK2 (0.49) CDK2KCNH2AURKAAURKBCDK1
SCHEMBL4435674 0.96 CDK2 (0.49) CDK2KCNH2AURKAAURKBCDK1
SCHEMBL4433038 0.96 CDK2 (0.49) CDK2KCNH2CDK1JAK2MAPK8
SCHEMBL4434460 0.95 CDK2 (0.48) CDK2KCNH2CDK1JAK2MAPK8
SCHEMBL3942209 0.93 CDK2 (0.48) CDK2KCNH2CDK1CDK4
SCHEMBL4436650 0.92 CDK2 (0.46) CDK2KCNH2AURKAAURKBCDK1
SCHEMBL14092821 0.92 CDK2 (0.46) CDK2KCNH2CDK1JAK2JAK1
SCHEMBL4436531 0.92 CDK2 (0.47) CDK2KCNH2CDK1JAK2JAK1
SCHEMBL4428626 0.92 CDK2 (0.46) CDK2KCNH2AURKAAURKBCDK1
SCHEMBL4432737 0.91 CDK2 (0.45) CDK2KCNH2CDK1CDK4CDK6

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 17 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 claimed
WO-2009017454-A1 NEW THERAPEUTIC COMBINATION OF A GSK3 INHIBITOR AND AN A7-NICOTINIC AGONIST 960 ASTRAZENECA AB (SE) 2009-02-05 WO claimed
WO-2009017453-A1 NEW THERAPEUTIC COMBINATION OF AN ANTIPSYCHOTIC AND A GSK3 INHIBITOR 958 ASTRAZENECA AB (SE) 2009-02-05 WO claimed
WO-2009017455-A1 A NEW COMBINATION OF (A) AN ALPHA-4-BETA-2 -NEURONAL NICOTINIC AGONIST AND (B) A GSK3 INHIBITOR ASTRAZENECA AB (SE) 2009-02-05 WO claimed
WO-2008002245-A2 IMIDAZOL-PYRIMIDINE DERIVATIVES FOR TREATMENT OF DISEASES RELATED TO GLYCOGEN SYNTHASE KINASE (GSK3) ASTRAZENECA AB (SE) 2008-01-03 WO claimed
US-20230115252-A1 METHODS FOR TREATING NEUROMUSCULAR JUNCTION-RELATED DISEASES UNIVERSITÉ PARIS CITÉ (FR) 2023-04-13 US disclosed
EP-3741375-A1 METHODS FOR TREATING NEUROMUSCULAR JUNCTION-RELATED DISEASES INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2020-11-25 EP disclosed
US-20200323900-A1 METHODS FOR TREATING NEUROMUSCULAR JUNCTION-RELATED DISEASES INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2020-10-15 US disclosed
US-20170209488-A1 METHODS FOR TREATING NEUROMUSCULAR JUNCTION-RELATED DISEASES INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-07-27 US disclosed
WO-2016207366-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2016-12-29 WO disclosed
WO-2009017454-A1 NEW THERAPEUTIC COMBINATION OF A GSK3 INHIBITOR AND AN A7-NICOTINIC AGONIST 960 ASTRAZENECA AB (SE) 2009-02-05 WO disclosed
WO-2009017455-A1 A NEW COMBINATION OF (A) AN ALPHA-4-BETA-2 -NEURONAL NICOTINIC AGONIST AND (B) A GSK3 INHIBITOR ASTRAZENECA AB (SE) 2009-02-05 WO disclosed
WO-2009017453-A1 NEW THERAPEUTIC COMBINATION OF AN ANTIPSYCHOTIC AND A GSK3 INHIBITOR 958 ASTRAZENECA AB (SE) 2009-02-05 WO 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

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.