SCHEMBL633780

SCHEMBL633780

Cc1ncc(-c2nc(Nc3cc(F)c(CN4CCOC[C@@H]4C)cc3F)ncc2F)n1C1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.41
KCNH2 Q12809 1/20 0.41
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
LRRK2 Q5S007 8/20 0.38
CDK4 P11802 5/20 0.37
CDK1 P06493 2/20 0.37
CCNB1 P14635 1/20 0.37
CCNE1 P24864 1/20 0.37
PIK3CA P42336 1/20 0.34
CDK6 Q00534 3/20 0.34
CCND3 P30281 3/20 0.33
PRKDC P78527 1/20 0.33
CCND1 P24385 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33

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
SCHEMBL633781 1.00 CDK2 (0.41) CDK2KCNH2CCNT1CDK9LRRK2
Hydrochloric Acid SCHEMBL634311 0.99 CDK2 (0.40) CDK2KCNH2CCNT1CDK9LRRK2
Hydrochloric Acid SCHEMBL634312 0.99 CDK2 (0.40) CDK2KCNH2CCNT1CDK9LRRK2
SCHEMBL633506 0.90 KCNH2 (0.38) CDK2KCNH2LRRK2CDK4CDK1
Hydrochloric Acid SCHEMBL634786 0.90 KCNH2 (0.38) CDK2KCNH2LRRK2CDK4CDK1
SCHEMBL30929653 0.89 LRRK2 (0.47) CDK2KCNH2CCNT1CDK9LRRK2
SCHEMBL633744 0.89 LRRK2 (0.47) CDK2KCNH2CCNT1CDK9LRRK2
Hydrochloric Acid SCHEMBL633701 0.89 LRRK2 (0.47) CDK2KCNH2CCNT1CDK9LRRK2
SCHEMBL4544336 0.88 KCNH2 (0.42) CDK2KCNH2CCNT1CDK9LRRK2
SCHEMBL4544333 0.88 KCNH2 (0.42) CDK2KCNH2CCNT1CDK9LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 CDK2 239/4885KCNH2 2379/4885CCNT1 1241/4885
US-20100267723-A1 Imidazole Substituted Pyrimidines GSK3B, GSK3A, STK3 CDK2 112/4885KCNH2 2118/4885CCNT1 785/4885

“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.