SCHEMBL4245100

SCHEMBL4245100

Cc1ncc(C(=O)C=CN(C)C)n1C1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.38
ALDH1A1 P00352 7/20 0.37
MAPT P10636 6/20 0.37
HTT P42858 2/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
POLB P06746 3/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PDE4B Q07343 1/20 0.33

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
SCHEMBL4245094 1.00 PTGS2 (0.38) PTGS2ALDH1A1MAPTHTTKMT2A
SCHEMBL4022899 0.93 PTGS2 (0.35) PTGS2ALDH1A1MAPTHTTKMT2A
SCHEMBL4026915 0.91 MAPT (0.38) ALDH1A1MAPTHTTKMT2AMEN1
SCHEMBL4026913 0.91 MAPT (0.38) ALDH1A1MAPTHTTKMT2AMEN1
SCHEMBL1448519 0.89 ALDH1A1 (0.40) PTGS2ALDH1A1MAPTHTTKMT2A
SCHEMBL1447709 0.89 ALDH1A1 (0.43) PTGS2ALDH1A1MAPTHTTKMT2A
SCHEMBL1448522 0.89 ALDH1A1 (0.40) PTGS2ALDH1A1MAPTHTTKMT2A
SCHEMBL1447706 0.89 ALDH1A1 (0.43) PTGS2ALDH1A1MAPTHTTKMT2A
SCHEMBL4248909 0.88 MAPT (0.45) PTGS2ALDH1A1MAPTHTTKMT2A
SCHEMBL4248915 0.88 MAPT (0.45) PTGS2ALDH1A1MAPTHTTKMT2A

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 8 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
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-2046783-A2 IMIDAZOL-PYRIMIDINE DERIVATIVES FOR TREATMENT OF DISEASES RELATED TO GLYCOGEN SYNTHASE KINASE (GSK3) AstraZeneca AB (SE) 2009-04-15 EP disclosed
US-20080188503-A1 5-Fluoro-4-[2-methyl-1-(tetrahydro-2H-pyran-4-yl)-1H-imidazol-5-yl]-N-pyrimidin-5-ylpyrimidin-2-amine; Alzheimer's Disease (AD) Dementias, and Taupathies; GSK3 inhibitors in inflammatory diseases ASTRAZENACA 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-2008002245-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20080188503-A1 5-Fluoro-4-[2-methyl-1-(tetrahydro-2H-pyran-4-yl)-1H-imidazol-5-yl]-N-pyrimidin-5-ylpyrimidin-2-amine; Alzheimer's Disease (AD) Dementias, and Taupathies; GSK3 inhibitors in inflammatory diseases GSK3B, GSK3A, MAPT PTGS2 1467/4885ALDH1A1 3227/4885MAPT 3/4885
US-20080188502-A1 New Compounds I SLC10A1, REN, SLC5A1 PTGS2 1220/4885ALDH1A1 363/4885MAPT 2046/4885
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 PTGS2 4297/4885ALDH1A1 1131/4885MAPT 28/4885

“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.