SCHEMBL633744

SCHEMBL633744

Cc1ncc(-c2nc(Nc3cc(F)c(CN4CCOCC4)cc3F)ncc2F)n1C1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 6/20 0.47
CDK2 P24941 2/20 0.43
KCNH2 Q12809 2/20 0.43
CDK4 P11802 6/20 0.39
CDK6 Q00534 5/20 0.39
CDK1 P06493 2/20 0.38
CCNB1 P14635 1/20 0.38
CCNE1 P24864 1/20 0.38
IGF1R P08069 1/20 0.37
CNR2 P34972 1/20 0.37
CCNT1 O60563 2/20 0.36
CDK9 P50750 2/20 0.36
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
CSF1R P07333 2/20 0.36
CCND1 P24385 1/20 0.36
CCND3 P30281 1/20 0.35
PRKDC P78527 1/20 0.35

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
SCHEMBL30929653 1.00 LRRK2 (0.47) LRRK2CDK2KCNH2CDK4CDK6
Hydrochloric Acid SCHEMBL633701 0.99 LRRK2 (0.47) LRRK2CDK2KCNH2CDK4CDK6
SCHEMBL633780 0.89 CDK2 (0.41) LRRK2CDK2KCNH2CDK4CDK6
SCHEMBL633781 0.89 CDK2 (0.41) LRRK2CDK2KCNH2CDK4CDK6
Hydrochloric Acid SCHEMBL634311 0.89 CDK2 (0.40) LRRK2CDK2KCNH2CDK4CDK6
Hydrochloric Acid SCHEMBL634312 0.89 CDK2 (0.40) LRRK2CDK2KCNH2CDK4CDK6
SCHEMBL633506 0.87 KCNH2 (0.38) LRRK2CDK2KCNH2CDK4CDK6
SCHEMBL633925 0.87 KCNH2 (0.46) LRRK2CDK2KCNH2CDK4CDK6
Hydrochloric Acid SCHEMBL634786 0.87 KCNH2 (0.38) LRRK2CDK2KCNH2CDK4CDK6
Hydrochloric Acid SCHEMBL633741 0.86 KCNH2 (0.46) LRRK2CDK2KCNH2CDK4CDK6

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178529-B2 Imidazole substituted pyrimidines ASTRAZENECA AB (SE) 2012-05-15 US claimed
WO-2012050517-A1 IMIDAZOLE SUBSTITUTED PYRIMIDINE HAVING A HIGH GSK3 INHIBITING POTENCY AS WELL AS PAN-KINASE SELECTIVITY ASTRAZENECA AB (SE) 2012-04-19 WO claimed
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 claimed
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 claimed
WO-2010120237-A1 IMIDAZOLE SUBSTITUTED PYRIMIDINES USEFUL IN THE TREATMENT OF GLYCOGEN SYNTHASE KINASE 3 RELATED DISORDERS SUCH AS ALZHEIMER'S DISEASE ASTRAZENECA AB (SE) 2010-10-21 WO claimed
US-20100267723-A1 Imidazole Substituted Pyrimidines ASTRAZENECA AB (SE) 2010-10-21 US claimed
EP-4125911-B1 OBICETRAPIB FOR TREATMENT OF DEMENTIAS NEWAMSTERDAM PHARMA B V (NL) 2024-04-24 EP 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-8178529-B2 Imidazole substituted pyrimidines ASTRAZENECA AB (SE) 2012-05-15 US disclosed
WO-2012050517-A1 IMIDAZOLE SUBSTITUTED PYRIMIDINE HAVING A HIGH GSK3 INHIBITING POTENCY AS WELL AS PAN-KINASE SELECTIVITY ASTRAZENECA AB (SE) 2012-04-19 WO 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
WO-2010120237-A1 IMIDAZOLE SUBSTITUTED PYRIMIDINES USEFUL IN THE TREATMENT OF GLYCOGEN SYNTHASE KINASE 3 RELATED DISORDERS SUCH AS ALZHEIMER'S DISEASE ASTRAZENECA AB (SE) 2010-10-21 WO disclosed
WO-2010120237-A1 IMIDAZOLE SUBSTITUTED PYRIMIDINES USEFUL IN THE TREATMENT OF GLYCOGEN SYNTHASE KINASE 3 RELATED DISORDERS SUCH AS ALZHEIMER'S DISEASE ASTRAZENECA AB (SE) 2010-10-21 WO disclosed
US-20100267723-A1 Imidazole Substituted Pyrimidines ASTRAZENECA AB (SE) 2010-10-21 US disclosed
US-20100267723-A1 Imidazole Substituted Pyrimidines ASTRAZENECA AB (SE) 2010-10-21 US disclosed
US-20100267723-A1 Imidazole Substituted Pyrimidines ASTRAZENECA AB (SE) 2010-10-21 US 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 (2 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-20120077813-A1 Imidazole Substituted Pyrimidines Useful in the Treatment of Glycogen Synthase Kinase-3 Related Disorders such as Alzheimer's Disease GSK3A, GSK3B, PYGB LRRK2 320/4885CDK2 239/4885KCNH2 2379/4885
US-20100267723-A1 Imidazole Substituted Pyrimidines GSK3B, GSK3A, STK3 LRRK2 122/4885CDK2 112/4885KCNH2 2118/4885

“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.