SCHEMBL4245167

SCHEMBL4245167

Nc1ncc(F)c(-c2cncn2C2CCOCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.43
IDO1 P14902 7/20 0.40
TDO2 P48775 5/20 0.40
PIK3CA P42336 6/20 0.35
PIK3R1 P27986 3/20 0.35
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 2/20 0.33
MTOR P42345 3/20 0.32
RICTOR Q6R327 1/20 0.32
RPTOR Q8N122 1/20 0.32
MAPKAP1 Q9BPZ7 1/20 0.32
MLST8 Q9BVC4 1/20 0.32
HCAR1 Q9BXC0 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
MAPK13 O15264 1/20 0.31
EGFR P00533 1/20 0.31
CSNK1D P48730 1/20 0.31
CSNK1E P49674 1/20 0.31
MAPK12 P53778 1/20 0.31

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
SCHEMBL633585 0.78 PIK3CA (0.39) MAPK14PIK3CAPIK3R1MTORKCNH2
SCHEMBL4251746 0.75 PIK3CA (0.36) MAPK14PIK3CAPIK3R1MTORRICTOR
SCHEMBL4968420 0.72 PIK3CA (0.35) MAPK14PIK3CAPIK3R1MTORFEN1
SCHEMBL22374829 0.71 CDK2 (0.41) KCNH2
SCHEMBL16039317 0.70 GSK3B (0.39) MAPK14IDO1TDO2HSP90AA1HSP90AB1
SCHEMBL1448068 0.65 CYP11B2 (0.34) PIK3CAMTORKCNH2
SCHEMBL16205376 0.64 PIK3CA (0.34) MAPK14PIK3CAPIK3R1MTORRICTOR
SCHEMBL14092794 0.64 CDK2 (0.39) MAPK14PIK3CAMTORKCNH2
SCHEMBL4246503 0.64 ALDH1A1 (0.38) MAPK14PIK3CAMTORHCAR1MAPK13
SCHEMBL18288992 0.63 CDK4 (0.56)

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 9 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
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 MAPK14 3694/4885IDO1 2241/4885TDO2 2008/4885

“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.