SCHEMBL13878985

SCHEMBL13878985

Cc1ncc(-c2nc(Nc3ccc(C(=O)N4CCCCC4)cc3)ncc2F)n1C

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 15/20 0.70
CDK1 P06493 8/20 0.70
KCNH2 Q12809 7/20 0.55
GRM5 P41594 2/20 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
Hydrochloric Acid SCHEMBL4246522 0.99 CDK2 (0.69) CDK2CDK1KCNH2GRM5
SCHEMBL3939745 0.92 CDK2 (0.80) CDK2CDK1KCNH2
Hydrochloric Acid SCHEMBL4245172 0.91 CDK2 (0.79) CDK2CDK1KCNH2
SCHEMBL3936430 0.86 CDK2 (0.62) CDK2CDK1KCNH2
SCHEMBL4022326 0.86 CDK2 (0.59) CDK2CDK1KCNH2
SCHEMBL13878976 0.84 CDK2 (0.60) CDK2CDK1KCNH2
Hydrochloric Acid SCHEMBL4246870 0.83 CDK2 (0.59) CDK2CDK1KCNH2
SCHEMBL3937001 0.83 CDK2 (0.72) CDK2CDK1KCNH2
SCHEMBL3937060 0.83 CDK2 (0.56) CDK2CDK1KCNH2
SCHEMBL14093071 0.83 CDK2 (0.50) CDK2CDK1KCNH2GRM5

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 3 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
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 174/4885CDK1 253/4885KCNH2 4085/4885

“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.