SCHEMBL4247718

SCHEMBL4247718

Cc1ncc(-c2ccnc(Nc3cccc(S(=O)(=O)N4CCN(C)CC4)c3)n2)n1C1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.47
MTOR P42345 3/20 0.47
SMG1 Q96Q15 3/20 0.47
CCNE1 P24864 1/20 0.47
PIK3CD O00329 1/20 0.46
PIK3C2G O75747 1/20 0.46
PIK3CG P48736 1/20 0.46
CDK1 P06493 4/20 0.45
PDGFRB P09619 2/20 0.45
SRC P12931 1/20 0.45
IKBKB O14920 1/20 0.45
CCNT1 O60563 2/20 0.45
CCNB1 P14635 2/20 0.45
CCNA2 P20248 2/20 0.45
CDK7 P50613 2/20 0.45
CDK9 P50750 2/20 0.45
CCNH P51946 2/20 0.45
PDE5A O76074 7/20 0.44
CDK4 P11802 1/20 0.44

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
SCHEMBL3945377 0.90 CDK2 (0.58) CDK2CCNE1CDK1IKBKBCCNT1
SCHEMBL4248227 0.87 CDK2 (0.48) CDK2CCNE1CDK1IKBKBCCNT1
SCHEMBL4248200 0.87 CDK2 (0.55) CDK2CCNE1CDK1IKBKBCCNT1
SCHEMBL4250805 0.87 CDK2 (0.47) CDK2CCNE1CDK1IKBKBCCNT1
SCHEMBL4251013 0.84 CDK2 (0.63) CDK2CCNE1CDK1IKBKBCCNT1
SCHEMBL4247107 0.83 CDK2 (0.57) CDK2CCNE1CDK1IKBKBCCNT1
SCHEMBL4246230 0.83 CDK2 (0.57) CDK2CCNE1CDK1IKBKBCCNT1
SCHEMBL4251740 0.82 CDK2 (0.53) CDK2CCNE1CDK1IKBKBCCNT1
SCHEMBL4251036 0.80 CDK2 (0.61) CDK2CCNE1IKBKBCDK4
SCHEMBL4249424 0.79 CDK2 (0.54) CDK2CCNE1CDK1IKBKBCCNT1

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
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-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 174/4885MTOR 2035/4885SMG1 1154/4885

“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.