SCHEMBL4247639

SCHEMBL4247639

COC(=O)c1cccc(Nc2ncc(F)c(-c3cnc(C)n3C)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.49
KCNH2 Q12809 6/20 0.49
ABL1 P00519 1/20 0.48
BCR P11274 1/20 0.48
SRC P12931 1/20 0.48
CCNE1 P24864 3/20 0.47
CCNE2 O96020 2/20 0.47
CDK1 P06493 5/20 0.47
SYK P43405 2/20 0.46
CCNT1 O60563 3/20 0.45
CDK9 P50750 3/20 0.45
CCNB1 P14635 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK7 P50613 1/20 0.45
CCNH P51946 1/20 0.45
EGFR P00533 1/20 0.44
ITK Q08881 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
SCHEMBL1156650 0.88 CDK2 (0.66) CDK2KCNH2CDK1
SCHEMBL13879004 0.85 CDK2 (0.48) CDK2KCNH2ABL1BCRSRC
Hydrochloric Acid SCHEMBL4249422 0.84 CDK2 (0.48) CDK2KCNH2ABL1BCRSRC
SCHEMBL13878988 0.84 CDK2 (0.65) CDK2SRCCCNE1CDK1CCNT1
Hydrochloric Acid SCHEMBL4247429 0.83 CDK2 (0.64) CDK2SRCCCNE1CDK1CCNT1
SCHEMBL13879035 0.81 CDK2 (0.50) CDK2KCNH2CCNE1CCNE2CDK1
SCHEMBL4246808 0.81 CDK2 (0.59) CDK2KCNH2CDK1EGFR
SCHEMBL13878944 0.81 CDK2 (0.52) CDK2KCNH2SRCCCNE1CCNE2
SCHEMBL4251781 0.81 CDK2 (0.57) CDK2KCNH2ABL1BCRSRC
Hydrochloric Acid SCHEMBL4253486 0.81 CDK2 (0.49) CDK2KCNH2CCNE1CCNE2CDK1

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
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
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 174/4885KCNH2 4085/4885ABL1 3769/4885

“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.