SCHEMBL4254758

SCHEMBL4254758

Cc1cc(Nc2ncc(F)c(-c3cnc(C)n3C3CCOCC3)n2)ccc1S(=O)(=O)N1CCN(C)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.49
CDK1 P06493 5/20 0.49
CCNT1 O60563 2/20 0.49
CCNA2 P20248 2/20 0.49
CDK9 P50750 2/20 0.49
CCNB1 P14635 1/20 0.49
CDK7 P50613 1/20 0.49
CCNH P51946 1/20 0.49
KCNH2 Q12809 4/20 0.47
AXL P30530 4/20 0.45
CDK4 P11802 3/20 0.44
CDK6 Q00534 2/20 0.44
PIK3CD O00329 1/20 0.40
CSF1R P07333 1/20 0.40
CCNA1 P78396 1/20 0.40
NUAK1 O60285 1/20 0.40
CCND1 P24385 1/20 0.40
MARK3 P27448 1/20 0.40
CCND2 P30279 1/20 0.40
CCND3 P30281 1/20 0.40

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
SCHEMBL13878973 0.89 CDK2 (0.44) CDK2CDK1CCNT1CCNA2CDK9
SCHEMBL3935837 0.89 CDK4 (0.54) CDK2CDK1CCNT1CCNA2CDK9
Hydrochloric Acid SCHEMBL4250818 0.89 CDK2 (0.44) CDK2CDK1CCNT1CCNA2CDK9
Hydrochloric Acid SCHEMBL4246512 0.88 CDK4 (0.53) CDK2CDK1CCNT1CCNA2CDK9
SCHEMBL3946607 0.88 CDK2 (0.46) CDK2CDK1CCNT1CCNA2CDK9
SCHEMBL4252163 0.86 CDK2 (0.51) CDK2CDK1CCNT1CCNA2CDK9
SCHEMBL4248227 0.86 CDK2 (0.48) CDK2CDK1CCNT1CCNA2CDK9
SCHEMBL12861879 0.84 CDK2 (0.64) CDK2CDK1KCNH2CDK4CDK6
Hydrochloric Acid SCHEMBL1156516 0.83 CDK2 (0.63) CDK2CDK1KCNH2CDK4CDK6
SCHEMBL13878975 0.83 CDK2 (0.54) CDK2CDK1CCNT1CCNA2CDK9

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
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

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 174/4885CDK1 253/4885CCNT1 86/4885

“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.