SCHEMBL1114210

SCHEMBL1114210

COCCn1c(CN2CCN(S(C)(=O)=O)CC2)nc2c(N3CCOCC3)nc(Cl)nc21

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.48
PIK3CA P42336 18/20 0.42
PIK3R1 P27986 16/20 0.42
PIK3CB P42338 7/20 0.41
PIK3CG P48736 7/20 0.41
MTOR P42345 6/20 0.41
HDAC1 Q13547 1/20 0.40

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
SCHEMBL27833438 0.87 HDAC1 (0.41) PIK3CDHDAC1
SCHEMBL1113694 0.86 PIK3CD (0.62) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL1114245 0.78 PIK3CA (0.61) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL2101166 0.78 PIK3CD (0.45) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL27833441 0.73 HDAC1 (0.48) PIK3CDPIK3CAPIK3CBPIK3CGHDAC1
SCHEMBL2109452 0.72 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBPIK3CGHDAC1
SCHEMBL13595279 0.72 HDAC1 (0.46) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL2396327 0.72 HRH3 (0.43) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL2396138 0.72 PIK3CD (0.52) PIK3CDPIK3CAMTORHDAC1
SCHEMBL2392716 0.72 PIK3CD (0.43) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG

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 8 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
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 PIK3CD 2/4885PIK3CA 1/4885PIK3R1 17/4885
US-20120135988-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CG PIK3CD 2/4885PIK3CA 1/4885PIK3R1 17/4885

“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.