SCHEMBL2178250

SCHEMBL2178250

CN[C@H]([C]=O)CCCCN

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.34
RNPEP Q9H4A4 1/20 0.33
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
CPB2 Q96IY4 3/20 0.31
NFKB1 P19838 1/20 0.30
FOLH1 Q04609 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
SCHEMBL2178247 1.00 GSR (0.34) GSRRNPEPGNAI3GNAO1GNAI1
SCHEMBL3994460 0.93
SCHEMBL10784463 0.80 GSR (0.35) GSRRNPEPCPB2NFKB1FOLH1
SCHEMBL9853666 0.80 MAPT (0.38)
SCHEMBL1308490 0.79 GSR (0.32) GSRRNPEPGNAI3GNAO1GNAI1
SCHEMBL451174 0.78 GSR (0.39) GSRRNPEPGNAI3GNAO1GNAI1
SCHEMBL9853678 0.78 MAPT (0.41)
SCHEMBL19100559 0.78 GSR (0.39) GSRRNPEPGNAI3GNAO1GNAI1
SCHEMBL451173 0.78 GSR (0.39) GSRRNPEPGNAI3GNAO1GNAI1
SCHEMBL3854190 0.78 EPHX1 (0.36) CPB2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101595103-A Pyrimidine derivatives ASTRAZENECA AB (SE) 2009-12-02 CN claimed
US-20090270390-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA (SE) 2009-10-29 US claimed
CN-101563340-A 2-benzimidaz0lyl-6-m0rph0lin0-4-piperidin-4-ylpyrimidine derivatives as pi3k and mtor inhibitors for the treatment of proliferative disorders ASTRAZENECA AB (SE) 2009-10-21 CN claimed
US-20090233926-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4-PIPERIDIN-4-YLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA (SE) 2009-09-17 US claimed
EP-2064203-A1 2-BENZIMIDAZ0LYL-6-M0RPH0LIN0-4-PIPERIDIN-4-YLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2009-06-03 EP claimed
WO-2008032072-A1 2-BENZIMIDAZ0LYL-6-M0RPH0LIN0-4-PIPERIDIN-4-YLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-03-20 WO claimed
WO-2008032089-A1 4-BENZIMIDAZ0LYL-2-M0RPH0LIN0-6-PIPERIDIN-4-YLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-03-20 WO claimed
US-8445224-B2 Method for assaying FTO (2-oxoglutarate dependent oxygenase) activity ISIS INNOVATION LIMITED (GB) 2013-05-21 US disclosed
EP-2171446-B1 A METHOD FOR ASSAYING FTO (2-OXOGLUTARATE DEPENDENT OXYGENASE) ACTIVITY ISIS INNOVATION (GB) 2013-04-24 EP disclosed
US-20110166208-A1 Nucleotide and Amino Acid Sequences for Calmodulin Protein Methyltransferase UNIVERSITY OF KENTUCKY (US) 2011-07-07 US disclosed
US-20100216832-A1 Method for Assaying FTO (2-Oxoglutarate Dependent Oxygenase) Activity OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2010-08-26 US disclosed
EP-2171446-A1 A METHOD FOR ASSAYING FTO (2-OXOGLUTARATE DEPENDENT OXYGENASE) ACTIVITY ISIS Innovation Limited (GB) 2010-04-07 EP disclosed
US-20100022534-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4- (AZETIDINE, PYRROLIDINE, PIPERIDINE OR AZEPINE) PYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA (GB) 2010-01-28 US disclosed
EP-2064203-A1 2-BENZIMIDAZ0LYL-6-M0RPH0LIN0-4-PIPERIDIN-4-YLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2009-06-03 EP disclosed
WO-2008155556-A1 A METHOD FOR ASSAYING FTO (2-OXOGLUTARATE DEPENDENT OXYGENASE) ACTIVITY ISIS INNOVATION LIMITED (GB) 2008-12-24 WO disclosed
WO-2008032072-A1 2-BENZIMIDAZ0LYL-6-M0RPH0LIN0-4-PIPERIDIN-4-YLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-03-20 WO disclosed
WO-2008032089-A1 4-BENZIMIDAZ0LYL-2-M0RPH0LIN0-6-PIPERIDIN-4-YLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-03-20 WO disclosed
WO-2007066103-A1 PYRIMIDINE DERIVATIVES AS CLASS I PI3K INHIBITOR ASTRAZENECA AB (SE) 2007-06-14 WO disclosed
EP-0688314-A1 PRODRUG DERIVATIVES OF ENZYME INHIBITORS WITH HYDROXYL GROUPS, METHODS OF PREPARING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1995-12-27 EP disclosed
WO-1994021604-A1 PRODRUG DERIVATIVES OF ENZYME INHIBITORS WITH HYDROXYL GROUPS, METHODS OF PREPARING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1994-09-29 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 (4 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-20090233926-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4-PIPERIDIN-4-YLPYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS PIK3CA, MTOR, PIK3CD GSR 3667/4885RNPEP 3940/4885GNAI3 2400/4885
US-20100022534-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4- (AZETIDINE, PYRROLIDINE, PIPERIDINE OR AZEPINE) PYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS MTOR, PIK3CA, PIK3CD GSR 4231/4885RNPEP 3460/4885GNAI3 3029/4885
US-20100216832-A1 Method for Assaying FTO (2-Oxoglutarate Dependent Oxygenase) Activity FTO, ALKBH3, TET2 GSR 1047/4885RNPEP 1186/4885GNAI3 1169/4885
US-20090270390-A1 PYRIMIDINE DERIVATIVES TYMP, DPYD, TYMS GSR 1044/4885RNPEP 1771/4885GNAI3 3353/4885

“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.