SCHEMBL13879010

SCHEMBL13879010

Cc1ncc(-c2nc(Nc3ccc(C(=O)O)cc3)ncc2F)n1C1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 14/20 0.54
KCNH2 Q12809 7/20 0.54
CDK1 P06493 6/20 0.53
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
JAK2 O60674 2/20 0.47
JAK1 P23458 1/20 0.46
JAK3 P52333 1/20 0.46

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
SCHEMBL4243943 0.99 CDK2 (0.53) CDK2KCNH2CDK1GSK3AGSK3B
Lithium Ion SCHEMBL4243939 0.91 CDK2 (0.52) CDK2KCNH2CDK1JAK2JAK1
Hydrochloric Acid SCHEMBL4245085 0.90 CDK2 (0.66) CDK2KCNH2CDK1JAK2JAK1
SCHEMBL14093058 0.89 CDK2 (0.49) CDK2KCNH2CDK1JAK2
SCHEMBL3936428 0.89 CDK2 (0.63) CDK2KCNH2CDK1JAK2JAK1
SCHEMBL13879009 0.89 CDK2 (0.60) CDK2KCNH2CDK1JAK2JAK1
SCHEMBL4248025 0.89 CDK2 (0.50) CDK2KCNH2CDK1JAK2JAK1
Hydrochloric Acid SCHEMBL4249609 0.89 CDK2 (0.64) CDK2KCNH2CDK1JAK2JAK1
SCHEMBL4259683 0.88 CDK2 (0.48) CDK2KCNH2CDK1JAK2
Hydrochloric Acid SCHEMBL4249423 0.88 CDK2 (0.58) CDK2KCNH2CDK1

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 2 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 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 4085/4885CDK1 253/4885

“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.