SCHEMBL3937006

SCHEMBL3937006

CS(=O)(=O)c1ccc(Nc2ncc(F)c(-c3cnc(C(F)(F)F)n3C3CCOCC3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 8/20 0.52
CCNB1 P14635 4/20 0.52
CCNB2 O95067 3/20 0.52
CDK5 Q00535 3/20 0.52
CDK5R1 Q15078 3/20 0.52
CCNB3 Q8WWL7 3/20 0.52
CDK2 P24941 14/20 0.46
CCNE1 P24864 6/20 0.46
CCNE2 O96020 5/20 0.46
KDR P35968 5/20 0.45
KCNH2 Q12809 2/20 0.43
CCNT1 O60563 2/20 0.43
CDK9 P50750 2/20 0.43
PTK2 Q05397 1/20 0.42
PTK2B Q14289 1/20 0.42
CCNA2 P20248 2/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
MAPK14 Q16539 1/20 0.41

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
SCHEMBL4462397 0.89 CDK1 (0.55) CDK1CCNB1CCNB2CDK5CDK5R1
Hydrochloric Acid SCHEMBL4251765 0.89 CDK1 (0.54) CDK1CCNB1CCNB2CDK5CDK5R1
SCHEMBL3946282 0.88 CDK4 (0.51) CDK1CCNB1CCNB2CDK5CDK5R1
Hydrochloric Acid SCHEMBL4248136 0.87 CDK4 (0.51) CDK1CCNB1CCNB2CDK5CDK5R1
SCHEMBL3939886 0.82 AURKA (0.51) CDK1CDK2KDRKCNH2CCNA2
SCHEMBL4248153 0.82 CDK2 (0.53) CDK1CDK2CCNE1KCNH2CCNT1
SCHEMBL3934836 0.81 CDK2 (0.59) CDK1CDK2CCNE1CCNT1CDK9
Hydrochloric Acid SCHEMBL4251088 0.81 AURKA (0.50) CDK1CDK2KDRKCNH2CCNA2
Hydrochloric Acid SCHEMBL4243812 0.81 CDK2 (0.58) CDK1CDK2CCNE1CCNT1CDK9
SCHEMBL4245194 0.81 CDK2 (0.51) CDK1CCNB1CCNB2CDK5CDK5R1

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 11 patents. 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
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
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-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 disclosed
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 disclosed
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 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

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-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 CDK1 253/4885CCNB1 114/4885CCNB2 357/4885

“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.