SCHEMBL4246511

SCHEMBL4246511

Cn1c(-c2nc(N)ncc2F)cnc1C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.32
ADORA2A P29274 1/20 0.32
RPS6KA3 P51812 1/20 0.32
BCL6 P41182 1/20 0.31
CDC7 O00311 1/20 0.31
NTRK1 P04629 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL1155944 0.82 KCNH2 (0.39) ADORA1ADORA2A
SCHEMBL4248122 0.80 RPS6KA3 (0.36) ADORA1RPS6KA3BCL6CDC7
SCHEMBL4972988 0.76 CYP1A2 (0.31)
SCHEMBL6595694 0.73 DYRK1A (0.44) ADORA2ACDC7KDM4E
SCHEMBL4251746 0.73 PIK3CA (0.36)
SCHEMBL30013235 0.68 TSHR (0.30)
SCHEMBL4506293 0.68 RPS6KA3 (0.34) ADORA1RPS6KA3BCL6CDC7KDM4E
SCHEMBL273281 0.68 KCNH2 (0.54)
SCHEMBL4249428 0.65 CDK2 (0.39) CDC7
SCHEMBL1448068 0.65 CYP11B2 (0.34) ADORA1ADORA2ARPS6KA3CDC7KDM4E

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 15 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
CN-101326179-A 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) 2008-12-17 CN claimed
CN-101511825-A Imidazol-pyrimidine derivatives for treatment of diseases related to glycogen synthase kinase (GSK3) ASTRAZENECA AB (SE) 2009-08-19 CN 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
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-2046782-A2 IMIDAZOLYLPYRIMIDINE DERIVATIVES FOR TREATMENT OF DISEASES RELATED TO GLYCOGEN SYNTHASE KINASE (GSK3) Astra Zeneca AB (SE) 2009-04-15 EP disclosed
CN-101326179-A 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) 2008-12-17 CN disclosed
US-20080188502-A1 New Compounds I ASTRAZENECA AB (SE) 2008-08-07 US disclosed
US-20080188502-A1 New Compounds I ASTRAZENECA AB (SE) 2008-08-07 US disclosed
US-20080188502-A1 New Compounds I ASTRAZENECA AB (SE) 2008-08-07 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-2008002244-A2 IMIDAZOL-PYRIMIDINE DERIVATIVES FOR TREATMENT OF DISEASES RELATED TO GLYCOGEN SYNTHASE KINASE (GSK3) ASTRAZENECA AB (SE) 2008-01-03 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
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 (2 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-20080188502-A1 New Compounds I SLC10A1, REN, SLC5A1 ADORA1 691/4885ADORA2A 2589/4885RPS6KA3 4035/4885
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 ADORA1 10/4885ADORA2A 43/4885RPS6KA3 1313/4885

“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.