SCHEMBL4249690

SCHEMBL4249690

Cc1ncc(-c2nc(Nc3ccc(S(C)(=O)=O)cc3)ncc2F)n1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 6/20 0.64
CCNB1 P14635 4/20 0.64
CDK5 Q00535 4/20 0.64
CDK5R1 Q15078 4/20 0.64
CCNB2 O95067 3/20 0.64
CCNB3 Q8WWL7 3/20 0.64
CDK2 P24941 15/20 0.56
CCNE1 P24864 5/20 0.53
CCNE2 O96020 4/20 0.53
CCNT1 O60563 3/20 0.53
CDK9 P50750 3/20 0.53
KCNH2 Q12809 7/20 0.52
CCNA2 P20248 2/20 0.52
CDK4 P11802 2/20 0.52
CSNK2A2 P19784 1/20 0.52
CCND1 P24385 1/20 0.52
CCND3 P30281 1/20 0.52
MAPK8 P45983 1/20 0.52
MAPK9 P45984 1/20 0.52
CSNK1A1 P48729 1/20 0.52

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
SCHEMBL4248257 0.85 CDK4 (0.56) CDK1CCNB1CDK5CDK5R1CCNB2
SCHEMBL13878944 0.83 CDK2 (0.52) CDK1CDK5CDK2CCNE1CCNE2
SCHEMBL4251077 0.83 KCNH2 (0.47) CDK1CCNB1CDK5CDK5R1CCNB2
SCHEMBL13891512 0.82 CDK2 (0.51) CDK1CCNB1CDK5CDK5R1CCNB2
SCHEMBL4462397 0.81 CDK1 (0.55) CDK1CCNB1CDK5CDK5R1CCNB2
SCHEMBL28773006 0.81 CDK2 (0.50) CDK1CCNB1CDK5CDK5R1CCNB2
Hydrochloric Acid SCHEMBL4251765 0.80 CDK1 (0.54) CDK1CCNB1CDK5CDK5R1CCNB2
SCHEMBL4246808 0.80 CDK2 (0.59) CDK1CDK2KCNH2GSK3AGSK3B
SCHEMBL28776432 0.80 CDK2 (0.49) CDK1CCNB1CDK5CDK5R1CCNB2
SCHEMBL6595895 0.80 CDK2 (0.81) CDK1CCNB1CDK5CDK5R1CDK2

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 7 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
CN-101326179-A 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) 2008-12-17 CN 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
CN-101326179-A 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) 2008-12-17 CN disclosed
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 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 CDK1 253/4885CCNB1 114/4885CDK5 160/4885

“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.