SCHEMBL1113697

SCHEMBL1113697

Nc1ncc(-c2nc(N3CCOCC3)c3ncn(CC4CCNC4)c3n2)cn1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.59
MTOR P42345 10/20 0.56
PIK3CG P48736 8/20 0.55
PIK3R1 P27986 6/20 0.55
HDAC1 Q13547 5/20 0.55
PIK3CD O00329 4/20 0.55
PIK3CB P42338 2/20 0.55
RPTOR Q8N122 1/20 0.47
MLST8 Q9BVC4 1/20 0.47

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
SCHEMBL1114084 0.94 PIK3CA (0.61) PIK3CAMTORPIK3CGPIK3R1HDAC1
SCHEMBL336204 0.90 PIK3CA (0.67) PIK3CAMTORPIK3CGPIK3R1HDAC1
SCHEMBL337181 0.86 PIK3CA (0.62) PIK3CAMTORPIK3CGPIK3R1HDAC1
SCHEMBL2877565 0.82 PIK3CA (0.60) PIK3CAMTORPIK3CGPIK3R1HDAC1
SCHEMBL1114137 0.81 PIK3CA (0.59) PIK3CAMTORPIK3CGPIK3R1HDAC1
SCHEMBL1114171 0.81 PIK3CA (0.56) PIK3CAMTORPIK3CGPIK3R1HDAC1
SCHEMBL1113658 0.80 PIK3CA (0.57) PIK3CAMTORPIK3CGPIK3R1HDAC1
SCHEMBL1113665 0.80 PIK3CA (0.55) PIK3CAMTORPIK3CGPIK3R1HDAC1
SCHEMBL27813714 0.80 PIK3CA (0.57) PIK3CAMTORPIK3CGPIK3R1HDAC1
SCHEMBL1114001 0.80 PIK3CA (0.72) PIK3CAMTORPIK3CGPIK3R1HDAC1

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 17 patents. 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
CN-102105474-B Purine PI3K inhibitor compounds and methods of use GENENTECH INC 2014-01-08 CN 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-20120135988-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE CASTANEDO GEORGETTE (US) 2012-05-31 US disclosed
US-20120135988-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE CASTANEDO GEORGETTE (US) 2012-05-31 US disclosed
US-20120135988-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE CASTANEDO GEORGETTE (US) 2012-05-31 US disclosed
US-8158624-B2 Purine PI3K inhibitor compounds and methods of use GENETECH, INC. (US) 2012-04-17 US disclosed
US-8158624-B2 Purine PI3K inhibitor compounds and methods of use GENETECH, INC. (US) 2012-04-17 US disclosed
US-8158624-B2 Purine PI3K inhibitor compounds and methods of use GENETECH, INC. (US) 2012-04-17 US disclosed
EP-2279188-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-02-02 EP 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 (2 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 PIK3CA 1/4885MTOR 75/4885PIK3CG 3/4885
US-20120135988-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CG PIK3CA 1/4885MTOR 75/4885PIK3CG 3/4885

“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.