SCHEMBL393754

SCHEMBL393754

CC1COCCN1c1nc(N2CCOCC2C)c2ccc(-c3cccc(N)c3)nc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 1.00
MTOR P42345 19/20 0.80
PIK3CD O00329 1/20 0.71
PIK3R1 P27986 1/20 0.71
PIK3CA P42336 1/20 0.71
PIK3CB P42338 1/20 0.71
PIK3CG P48736 1/20 0.71
PFKP Q01813 1/20 0.71
KCNH2 Q12809 1/20 0.71
RPTOR Q8N122 1/20 0.71
PIK3C3 Q8NEB9 1/20 0.71
MLST8 Q9BVC4 1/20 0.71

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
SCHEMBL18434073 1.00 AKT1 (1.00) AKT1MTORPIK3CDPIK3R1PIK3CA
SCHEMBL289851 1.00 AKT1 (1.00) AKT1MTORPIK3CDPIK3R1PIK3CA
SCHEMBL26062596 0.89 MTOR (1.00) AKT1MTORPIK3CDPIK3R1PIK3CA
SCHEMBL2903023 0.89 MTOR (1.00) AKT1MTORPIK3CDPIK3R1PIK3CA
SCHEMBL10224929 0.88 MTOR (1.00) AKT1MTORPIK3CDPIK3R1PIK3CA
SCHEMBL4080651 0.88 AKT1 (0.78) AKT1MTOR
SCHEMBL1218066 0.88 MTOR (1.00) AKT1MTOR
SCHEMBL289985 0.88 MTOR (1.00) AKT1MTOR
SCHEMBL18434394 0.87 MTOR (1.00) AKT1MTOR
SCHEMBL392021 0.87 MTOR (1.00) AKT1MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011512395-A 2011-04-21 JP claimed
US-20110028471-A1 COMBINATION THERAPY 238 ASTRAZENECA AB (SE) 2011-02-03 US claimed
EP-2262504-A1 COMBINATION THERAPY 238 AstraZeneca AB (SE) 2010-12-22 EP claimed
WO-2009104019-A1 COMBINATION THERAPY 238 ASTRAZENECA AB (SE) 2009-08-27 WO claimed
US-10034884-B2 Pyrido-, pyrazo- and pyrimido-pyrimidine derivatives as mTOR inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2018-07-31 US disclosed
US-20170281637-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2017-10-05 US disclosed
US-9717736-B2 Pyrido-, pyrazo- and pyrimido-pyrimidine derivatives as mTOR inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2017-08-01 US disclosed
EP-2057156-B1 2-METHYLMORPHOLINE PYRIDO-,PYRAZO- AND PYRIMIDO-PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS KUDOS PHARM LTD (GB) 2017-02-01 EP disclosed
US-20160067258-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARM LTD (GB) 2016-03-10 US disclosed
US-9102670-B2 Pyrido-, pyrazo- and pyrimido-pyrimidine derivatives as mTOR inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2015-08-11 US disclosed
US-20140135315-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2014-05-15 US disclosed
US-8435985-B2 Pyrido-, pyrazo- and pyrimido-pyrimidine derivatives as mTOR inhibitors MENEAR KEITH (GB) 2013-05-07 US disclosed
US-7902189-B2 antitumor agent, anticarcinogenic agents; 7-Chloro-2-((2S,6R)-2,6-dimethyl-morpholin-4-yl)-4-morpholin-4-yl-pyrido[2,3-d]pyrimidine; inhibitors of mTOR kinase ASTRAZENECA AB (SE) 2011-03-08 US disclosed
US-20110028471-A1 COMBINATION THERAPY 238 ASTRAZENECA AB (SE) 2011-02-03 US disclosed
EP-2262504-A1 COMBINATION THERAPY 238 AstraZeneca AB (SE) 2010-12-22 EP disclosed
WO-2009104019-A1 COMBINATION THERAPY 238 ASTRAZENECA AB (SE) 2009-08-27 WO disclosed
EP-2057156-A1 2-METHYLMORPHOLINE PYRIDO-, PYRAZO- AND PYRIMIDO-PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS Kudos Pharmaceuticals Limited (GB) 2009-05-13 EP disclosed
US-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2008-08-14 US disclosed
US-20080081809-A1 Novel Compounds KUDOS PHARMACEUTICALS LIMITED (GB) 2008-04-03 US disclosed
WO-2008023161-A1 2-METHYLMORPHOLINE PYRIDO-, PYRAZO- AND PYRIMIDO-PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2008-02-28 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 (7 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-20170281637-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors MTOR, RICTOR, RPTOR AKT1 213/4885MTOR 1/4885PIK3CD 40/4885
US-20110028471-A1 COMBINATION THERAPY 238 MTOR, KDR, MET AKT1 15/4885MTOR 1/4885PIK3CD 49/4885
US-10034884-B2 Pyrido-, pyrazo- and pyrimido-pyrimidine derivatives as mTOR inhibitors MTOR, RICTOR, RPTOR AKT1 213/4885MTOR 1/4885PIK3CD 40/4885
US-20160067258-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors MTOR, RICTOR, RPTOR AKT1 213/4885MTOR 1/4885PIK3CD 40/4885
US-20080081809-A1 Novel Compounds SLC10A1, ABCB11, PKD1 AKT1 1066/4885MTOR 203/4885PIK3CD 2492/4885
US-20140135315-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors MTOR, RICTOR, RPTOR AKT1 213/4885MTOR 1/4885PIK3CD 40/4885
US-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors RPS6KB1, RPS6KA1, RPS3A AKT1 782/4885MTOR 24/4885PIK3CD 814/4885

“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.