SCHEMBL1181983

SCHEMBL1181983

CN(Cc1cccnc1)Cc1cc2nc(Cl)nc(N3CCOCC3)c2s1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.49
PIK3CD O00329 6/20 0.47
PIK3CB P42338 3/20 0.47
PIK3CG P48736 2/20 0.47
MTOR P42345 5/20 0.45
PIK3R1 P27986 5/20 0.45
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC3 O15379 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
SCHEMBL4433808 0.90 PIK3CA (0.52) PIK3CAPIK3CDMTORPIK3R1
SCHEMBL1181583 0.90 PIK3CA (0.49) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1182363 0.84 PIK3CA (0.66) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1088697 0.84 PIK3CA (0.59) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1860373 0.84 PIK3CA (0.46) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1181294 0.83 PIK3CA (0.49) PIK3CAPIK3CDPIK3CBMTORPIK3R1
SCHEMBL4555586 0.81 PIK3CA (0.52) PIK3CAPIK3CDPIK3CBMTORPIK3R1
SCHEMBL4555936 0.79 PIK3CA (0.51) PIK3CAPIK3CDPIK3CBMTORPIK3R1
SCHEMBL4439877 0.79 PIK3CA (0.46) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1181982 0.79 PIK3CA (0.49) PIK3CAPIK3CDPIK3CBPIK3CGMTOR

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
US-8993563-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-03-31 US disclosed
US-20130129820-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2013-05-23 US disclosed
US-8383620-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-02-26 US disclosed
EP-2518074-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use F. Hoffmann-La Roche AG (CH) 2012-10-31 EP disclosed
US-20110097349-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-04-28 US disclosed
US-7888352-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use PIRAMED LIMITED (GB) 2011-02-15 US disclosed
EP-2114949-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2009-11-11 EP disclosed
US-20080242665-A1 1-(4-((2-(2-aminopyrimidin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)-2-(methylsulfonyl)ethanone; lipid kinase inhibitor; anticarcinogenic agent; F. HOFFMANN-LA ROCHE AG (CH) 2008-10-02 US disclosed
WO-2008070740-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2008-06-12 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-20110097349-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, AKT3, PI4KA PIK3CA 1/4885PIK3CD 5/4885PIK3CB 15/4885
US-20080242665-A1 1-(4-((2-(2-aminopyrimidin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)-2-(methylsulfonyl)ethanone; lipid kinase inhibitor; anticarcinogenic agent; PI4KA, DMPK, PDPK1 PIK3CA 9/4885PIK3CD 11/4885PIK3CB 48/4885
US-20130129820-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, AKT3, PI4KA PIK3CA 1/4885PIK3CD 5/4885PIK3CB 15/4885

“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.