SCHEMBL1113845

SCHEMBL1113845

O=C(O)Cn1cnc2c(N3CCOCC3)nc(-c3cccc(O)c3)nc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.65
MTOR P42345 11/20 0.65
PIK3CG P48736 11/20 0.65
PIK3CD O00329 3/20 0.57
HDAC1 Q13547 5/20 0.55
PIK3R1 P27986 3/20 0.55
PIK3C2B O00750 1/20 0.55
HDAC3 O15379 1/20 0.55
PIK3CB P42338 1/20 0.55
HDAC4 P56524 1/20 0.55
PRKDC P78527 1/20 0.55
PIK3C3 Q8NEB9 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55

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
SCHEMBL1114143 0.89 PIK3CA (0.59) PIK3CAMTORPIK3CGPIK3CDHDAC1
SCHEMBL1113809 0.86 PIK3CA (0.78) PIK3CAMTORPIK3CGPIK3CDHDAC1
SCHEMBL1113838 0.86 PIK3CA (0.65) PIK3CAMTORPIK3CGPIK3CDHDAC1
SCHEMBL1114198 0.85 PIK3CA (0.63) PIK3CAMTORPIK3CGPIK3CDHDAC1
SCHEMBL4436001 0.84 PIK3CA (0.64) PIK3CAMTORPIK3CGPIK3CDHDAC1
SCHEMBL1114252 0.83 PIK3CA (0.55) PIK3CAMTORPIK3CGPIK3CDHDAC1
SCHEMBL1114193 0.83 PIK3CA (0.68) PIK3CAMTORPIK3CGPIK3CDHDAC1
SCHEMBL3405383 0.83 PIK3CA (0.55) PIK3CAMTORPIK3CGPIK3CDHDAC1
SCHEMBL1113472 0.82 PIK3CA (0.67) PIK3CAMTORPIK3CGPIK3CDHDAC1
SCHEMBL17087314 0.82 HDAC1 (0.82) PIK3CAMTORPIK3CGPIK3CDHDAC1

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 9 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
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-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
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-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.