SCHEMBL4254734

SCHEMBL4254734

Cc1ncc(-c2nc(Nc3ccc(S(=O)(=O)N(C)C)cc3)ncc2F)n1C1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 15/20 0.50
KCNH2 Q12809 7/20 0.50
CDK1 P06493 6/20 0.45
CCNB2 O95067 2/20 0.44
CCNB1 P14635 2/20 0.44
CDK5 Q00535 2/20 0.44
CDK5R1 Q15078 2/20 0.44
CCNB3 Q8WWL7 2/20 0.44
CCNE2 O96020 2/20 0.44
CCNE1 P24864 2/20 0.44
CCNT1 O60563 1/20 0.44
CDK9 P50750 1/20 0.44
STK4 Q13043 1/20 0.43
SYK P43405 1/20 0.42

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 0.90 CDK1 (0.55) CDK2KCNH2CDK1CCNB2CCNB1
SCHEMBL3946434 0.90 CDK2 (0.47) CDK2KCNH2CDK1
Hydrochloric Acid SCHEMBL4251765 0.89 CDK1 (0.54) CDK2KCNH2CDK1CCNB2CCNB1
SCHEMBL4245194 0.89 CDK2 (0.51) CDK2KCNH2CDK1CCNB2CCNB1
SCHEMBL4250782 0.88 CDK2 (0.54) CDK2KCNH2CDK1CCNB2CCNB1
SCHEMBL13878975 0.87 CDK2 (0.54) CDK2KCNH2CDK1CCNB2CCNB1
SCHEMBL4246906 0.86 CDK2 (0.51) CDK2KCNH2CDK1CCNB2CCNB1
SCHEMBL13878974 0.86 CDK2 (0.51) CDK2KCNH2CDK1CCNB2CCNB1
Hydrochloric Acid SCHEMBL4246642 0.86 CDK2 (0.53) CDK2KCNH2CDK1CCNB2CCNB1
SCHEMBL4246901 0.85 CDK2 (0.48) CDK2KCNH2CDK1CCNB2CCNB1

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 5 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
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-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 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 CDK2 174/4885KCNH2 4085/4885CDK1 253/4885

“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.