SCHEMBL336558

SCHEMBL336558

CC(C)Cn1cnc2c(N3CCOCC3)nc(Cl)nc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.47
CNR2 P34972 1/20 0.45
TLR7 Q9NYK1 2/20 0.45
PIK3CA P42336 2/20 0.43
MTOR P42345 1/20 0.43
NT5E P21589 1/20 0.43
HDAC1 Q13547 4/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 1/20 0.42
STAT3 P40763 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39

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
SCHEMBL30439903 0.86 TLR7 (0.50) PDE10ACNR2TLR7PIK3CAMTOR
SCHEMBL2395003 0.86 TLR7 (0.50) PDE10ACNR2TLR7PIK3CAMTOR
SCHEMBL336286 0.82 MTOR (0.48) CNR2PIK3CAMTORHDAC1HDAC2
SCHEMBL25230525 0.81 HDAC1 (0.50) PDE10ACNR2TLR7PIK3CAMTOR
SCHEMBL17078418 0.81 HDAC1 (0.47) PDE10ACNR2TLR7PIK3CAMTOR
SCHEMBL336380 0.81 PIK3CA (0.52) PDE10ACNR2PIK3CAMTORNT5E
SCHEMBL17078382 0.81 PDE10A (0.45) PDE10ACNR2TLR7PIK3CAMTOR
SCHEMBL30440406 0.81 PIK3CA (0.52) PDE10ACNR2PIK3CAMTORNT5E
SCHEMBL337171 0.81 CNR2 (0.45) PDE10ACNR2TLR7PIK3CAMTOR
SCHEMBL2099733 0.80 CNR2 (0.66) PDE10ACNR2PIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2279188-B1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2015-01-28 EP disclosed
EP-2279188-B1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2015-01-28 EP disclosed
EP-2336132-B1 MORPHOLINOPURINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2014-01-01 EP disclosed
US-8445487-B2 Purine PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-05-21 US disclosed
US-8445487-B2 Purine PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-05-21 US disclosed
US-8445487-B2 Purine PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-05-21 US disclosed
US-8309546-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-13 US disclosed
US-8309546-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-13 US disclosed
US-8309546-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-13 US disclosed
US-20120135988-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE CASTANEDO GEORGETTE (US) 2012-05-31 US disclosed
EP-2336132-A1 MORPHOLINOPURINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2011-06-22 EP disclosed
CN-102105474-A Purine PI3K inhibitor compounds and methods of use GENENTECH INC 2011-06-22 CN disclosed
EP-2279188-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-02-02 EP disclosed
US-20100130492-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-05-27 US disclosed
US-20100130492-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-05-27 US disclosed
US-20100130492-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-05-27 US disclosed
US-20090318411-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2009-12-24 US disclosed
US-20090318411-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2009-12-24 US disclosed
US-20090318411-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2009-12-24 US disclosed
WO-2009146406-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-12-03 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-20090318411-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CG PDE10A 642/4885CNR2 2763/4885TLR7 1118/4885
US-20120135988-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CG PDE10A 642/4885CNR2 2763/4885TLR7 1118/4885
US-20100130492-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 PDE10A 1632/4885CNR2 4410/4885TLR7 1510/4885

“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.