SCHEMBL4251013

SCHEMBL4251013

Cc1ncc(-c2ccnc(Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)n2)n1C1CCOCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.63
CCNE1 P24864 2/20 0.63
CDK4 P11802 3/20 0.53
IKBKB O14920 9/20 0.51
CHUK O15111 6/20 0.51
MAPK8 P45983 2/20 0.50
MAPK9 P45984 2/20 0.50
KCNH2 Q12809 2/20 0.50
CCNT1 O60563 1/20 0.50
CDK1 P06493 1/20 0.50
CCNB1 P14635 1/20 0.50
CSNK2A2 P19784 1/20 0.50
CCNA2 P20248 1/20 0.50
CCND1 P24385 1/20 0.50
CCND3 P30281 1/20 0.50
CSNK1A1 P48729 1/20 0.50
CSNK1D P48730 1/20 0.50
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
CDK7 P50613 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
SCHEMBL4247107 0.96 CDK2 (0.57) CDK2CCNE1CDK4IKBKBCHUK
SCHEMBL4246230 0.96 CDK2 (0.57) CDK2CCNE1CDK4IKBKBCHUK
SCHEMBL3945377 0.94 CDK2 (0.58) CDK2CCNE1CDK4IKBKBCHUK
SCHEMBL4251740 0.92 CDK2 (0.53) CDK2CCNE1CDK4IKBKBCHUK
SCHEMBL4248200 0.91 CDK2 (0.55) CDK2CCNE1CDK4IKBKBCHUK
SCHEMBL4135835 0.89 CDK2 (0.63) CDK2CCNE1CDK4IKBKBCHUK
SCHEMBL4251036 0.88 CDK2 (0.61) CDK2CCNE1CDK4IKBKBCHUK
SCHEMBL13878975 0.84 CDK2 (0.54) CDK2CCNE1CDK4KCNH2CCNT1
SCHEMBL4246528 0.84 CDK2 (0.65) CDK2CCNE1CDK4MAPK8MAPK9
SCHEMBL4247718 0.84 CDK2 (0.47) CDK2CCNE1CDK4IKBKBCCNT1

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 8 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
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
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 CDK2 174/4885CCNE1 124/4885CDK4 746/4885

“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.