SCHEMBL4249699

SCHEMBL4249699

Cc1ncc(-c2nc(Nc3cccc(C(=O)N4CCCC(CO)C4)c3)ncc2F)n1C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.49
CDK1 P06493 8/20 0.49
NTRK1 P04629 4/20 0.48
CCNT1 O60563 3/20 0.47
CDK9 P50750 3/20 0.47
CCNE1 P24864 2/20 0.47
CCNB1 P14635 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK7 P50613 1/20 0.44
CCNH P51946 1/20 0.44
JAK3 P52333 1/20 0.43
MAP3K7 O43318 2/20 0.43
IRAK4 Q9NWZ3 2/20 0.43
KCNH2 Q12809 1/20 0.42
PRKCQ Q04759 1/20 0.42

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
SCHEMBL13878988 0.84 CDK2 (0.65) CDK2CDK1NTRK1CCNT1CDK9
Hydrochloric Acid SCHEMBL4247429 0.83 CDK2 (0.64) CDK2CDK1NTRK1CCNT1CDK9
SCHEMBL4247639 0.78 CDK2 (0.49) CDK2CDK1CCNT1CDK9CCNE1
SCHEMBL13878985 0.77 CDK2 (0.70) CDK2CDK1KCNH2
Hydrochloric Acid SCHEMBL4246522 0.76 CDK2 (0.69) CDK2CDK1KCNH2
SCHEMBL4252194 0.75 CDK2 (0.57) CDK2CDK1NTRK1CCNT1CDK9
SCHEMBL3936430 0.75 CDK2 (0.62) CDK2CDK1KCNH2
SCHEMBL3939745 0.73 CDK2 (0.80) CDK2CDK1NTRK1CCNT1CDK9
SCHEMBL3937060 0.73 CDK2 (0.56) CDK2CDK1CCNT1CDK9CCNE1
SCHEMBL13879035 0.73 CDK2 (0.50) CDK2CDK1CCNT1CDK9CCNE1

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 253/4885NTRK1 3986/4885

“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.