SCHEMBL4248257

SCHEMBL4248257

Cc1ncc(-c2nc(Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)ncc2F)n1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.56
CDK6 Q00534 3/20 0.56
CDK2 P24941 12/20 0.54
CDK1 P06493 8/20 0.54
PIK3CD O00329 1/20 0.49
PIK3C2G O75747 1/20 0.49
PIK3CG P48736 1/20 0.49
CDK5R1 Q15078 4/20 0.49
CCNE1 P24864 4/20 0.49
CCNT1 O60563 3/20 0.49
CDK9 P50750 3/20 0.49
CCNB2 O95067 2/20 0.49
CCNB1 P14635 2/20 0.49
CDK5 Q00535 2/20 0.49
CCNB3 Q8WWL7 2/20 0.49
CCNE2 O96020 2/20 0.49
AXL P30530 1/20 0.49
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48
KCNH2 Q12809 4/20 0.47

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
SCHEMBL3939125 0.89 CDK2 (0.70) CDK4CDK6CDK2CDK1KCNH2
Hydrochloric Acid SCHEMBL1156545 0.88 CDK2 (0.69) CDK4CDK6CDK2CDK1KCNH2
SCHEMBL3936509 0.88 CDK4 (0.54) CDK4CDK6CDK2CDK1PIK3CD
Hydrochloric Acid SCHEMBL4251776 0.87 CDK4 (0.53) CDK4CDK6CDK2CDK1PIK3CD
SCHEMBL4252163 0.87 CDK2 (0.51) CDK4CDK6CDK2CDK1CCNT1
SCHEMBL13878979 0.87 CDK4 (0.51) CDK4CDK6CDK2CDK1PIK3CD
SCHEMBL4248377 0.86 AXL (0.51) CDK4CDK6CDK2CDK1CCNT1
Hydrochloric Acid SCHEMBL4250762 0.86 CDK4 (0.51) CDK4CDK6CDK2CDK1PIK3CD
SCHEMBL3935837 0.85 CDK4 (0.54) CDK4CDK6CDK2CDK1PIK3CD
SCHEMBL4249690 0.85 CDK1 (0.64) CDK4CDK6CDK2CDK1CDK5R1

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 6 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
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 CDK4 746/4885CDK6 184/4885CDK2 174/4885

“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.