SCHEMBL1114172

SCHEMBL1114172

CCCn1c(C(C)(C)O)nc2c(N3CCOCC3)nc(Cl)nc21

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.54
MTOR P42345 3/20 0.54
PIK3CD O00329 3/20 0.54
CYP3A4 P08684 7/20 0.53
HDAC1 Q13547 1/20 0.40
KDM4E B2RXH2 10/20 0.38
ALDH1A1 P00352 10/20 0.38
HPGD P15428 10/20 0.38
HSD17B10 Q99714 10/20 0.38
TSHR P16473 2/20 0.37
CASP1 P29466 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ALOX15 P16050 1/20 0.36
MAPT P10636 1/20 0.36
NT5E P21589 1/20 0.35
PIK3CB P42338 1/20 0.35
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL19003149 0.94 PIK3CA (0.57) PIK3CAMTORPIK3CDCYP3A4HDAC1
SCHEMBL1113999 0.93 PIK3CA (0.52) PIK3CAMTORPIK3CDCYP3A4HDAC1
SCHEMBL19003132 0.90 PIK3CA (0.53) PIK3CAMTORPIK3CDCYP3A4HDAC1
SCHEMBL1113874 0.84 PIK3CD (0.46) PIK3CAMTORPIK3CDCYP3A4HDAC1
SCHEMBL1113901 0.84 MTOR (0.49) PIK3CAMTORPIK3CDCYP3A4HDAC1
SCHEMBL1114032 0.84 PIK3CA (0.48) PIK3CAMTORPIK3CDCYP3A4HDAC1
SCHEMBL3423423 0.80 PIK3CD (0.53) PIK3CAPIK3CDCYP3A4PIK3CB
SCHEMBL1114247 0.79 PIK3CA (0.86) PIK3CAMTORPIK3CDCYP3A4HDAC1
SCHEMBL19003133 0.78 PIK3CD (0.41) PIK3CAMTORPIK3CDCYP3A4HDAC1
SCHEMBL25232626 0.77 CYP3A4 (0.52) PIK3CAMTORPIK3CDCYP3A4HDAC1

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 16 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
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 75/4885PIK3CD 2/4885
US-20120135988-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CG PIK3CA 1/4885MTOR 75/4885PIK3CD 2/4885

“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.