SCHEMBL1156650

SCHEMBL1156650

COC(=O)c1cccc(Nc2ncc(F)c(-c3cnc(C)n3C(C)C)n2)c1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.66
KCNH2 Q12809 9/20 0.66
CDK1 P06493 7/20 0.59
CDK4 P11802 1/20 0.50
CDKL1 Q00532 1/20 0.50

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
SCHEMBL4247639 0.88 CDK2 (0.49) CDK2KCNH2CDK1
SCHEMBL12861917 0.86 CDK2 (0.60) CDK2KCNH2CDK1
Hydrochloric Acid SCHEMBL1155863 0.86 CDK2 (0.60) CDK2KCNH2CDK1
SCHEMBL4243729 0.83 CDK2 (0.66) CDK2KCNH2CDK1
SCHEMBL3937054 0.82 CDK2 (0.79) CDK2KCNH2CDK1
SCHEMBL5234131 0.82 CDK2 (0.72) CDK2KCNH2CDK1
Hydrochloric Acid SCHEMBL1156127 0.81 CDK2 (0.77) CDK2KCNH2CDK1
SCHEMBL27382932 0.81 CDK2 (0.83) CDK2KCNH2CDK1
SCHEMBL30828143 0.81 CDK2 (0.83) CDK2KCNH2CDK1
SCHEMBL30828131 0.80 CDK2 (0.76) CDK2KCNH2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028489-A1 Pyrimidine Derivatives and Their Use for Treating Bone-Related Disorders ANDERSSON LARS 2011-02-03 US claimed
US-20080214560-A1 Use of Pyrimidine Derivatives in the Manufacture of a Medicament for Prevention and/or Treatment of Alzheimer's Disease ASTRAZENECA AB (SE) 2008-09-04 US claimed
EP-1942897-A1 USE OF PYRIMIDINE DERIVATIVES IN THE MANUFACTURE OF A MEDICAMENT FOR PREVENTION AND/OR TREATMENT OF ALZHEIMER'S DISEASE AstraZeneca AB (SE) 2008-07-16 EP claimed
WO-2007040436-A1 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-20110028489-A1 Pyrimidine Derivatives and Their Use for Treating Bone-Related Disorders ANDERSSON LARS 2011-02-03 US disclosed
US-20110028489-A1 Pyrimidine Derivatives and Their Use for Treating Bone-Related Disorders ANDERSSON LARS 2011-02-03 US disclosed
US-20110028489-A1 Pyrimidine Derivatives and Their Use for Treating Bone-Related Disorders ANDERSSON LARS 2011-02-03 US disclosed
US-20080214560-A1 Use of Pyrimidine Derivatives in the Manufacture of a Medicament for Prevention and/or Treatment of Alzheimer's Disease ASTRAZENECA AB (SE) 2008-09-04 US disclosed
US-20080214560-A1 Use of Pyrimidine Derivatives in the Manufacture of a Medicament for Prevention and/or Treatment of Alzheimer's Disease ASTRAZENECA AB (SE) 2008-09-04 US disclosed
US-20080214560-A1 Use of Pyrimidine Derivatives in the Manufacture of a Medicament for Prevention and/or Treatment of Alzheimer's Disease ASTRAZENECA AB (SE) 2008-09-04 US disclosed
EP-1942897-A1 USE OF PYRIMIDINE DERIVATIVES IN THE MANUFACTURE OF A MEDICAMENT FOR PREVENTION AND/OR TREATMENT OF ALZHEIMER'S DISEASE AstraZeneca AB (SE) 2008-07-16 EP disclosed
WO-2007040436-A1 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
WO-2007040436-A1 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 (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-20080214560-A1 Use of Pyrimidine Derivatives in the Manufacture of a Medicament for Prevention and/or Treatment of Alzheimer's Disease TYMS, TYMP, ADORA1 CDK2 357/4885KCNH2 4221/4885CDK1 406/4885
US-20110028489-A1 Pyrimidine Derivatives and Their Use for Treating Bone-Related Disorders TYMP, DPYD, HPRT1 CDK2 339/4885KCNH2 4545/4885CDK1 602/4885

“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.