SCHEMBL1856526

SCHEMBL1856526

COCCN(Cc1cc2nc(Cl)nc(N3CCOCC3)c2s1)S(C)(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.51
MTOR P42345 4/20 0.49
PIK3R1 P27986 5/20 0.46
SMN1; SMN2 Q16637 1/20 0.42
PIK3CD O00329 10/20 0.42
PIK3CB P42338 10/20 0.42
PIK3CG P48736 9/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
PRKDC P78527 1/20 0.40
KCNH2 Q12809 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 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
SCHEMBL1859279 0.89 PIK3CA (0.53) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1857639 0.88 PIK3CA (0.50) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL4437463 0.85 PIK3CA (0.66) PIK3CAMTORPIK3R1SMN1; SMN2PIK3CD
SCHEMBL1862201 0.83 PIK3CA (0.67) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1088206 0.81 PIK3CD (0.54) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL4439734 0.80 PIK3CA (0.54) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL190562 0.79 PIK3CA (0.51) PIK3CAMTORPIK3R1SMN1; SMN2PIK3CD
SCHEMBL1862672 0.79 PIK3CA (0.53) PIK3CAMTORPIK3R1SMN1; SMN2PIK3CD
SCHEMBL4437479 0.79 PIK3CA (0.56) PIK3CAMTORPIK3R1SMN1; SMN2PIK3CD
SCHEMBL4070882 0.79 PIK3CA (0.50) PIK3CAMTORPIK3R1SMN1; SMN2PIK3CD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046799-B1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GENENTECH INC (US) 2017-07-19 EP disclosed
US-8450315-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-05-28 US disclosed
US-20110105464-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2011-05-05 US disclosed
US-7846929-B2 Using 1-(4-((2-(aminopyrimidin-5-yl)-4-morpholinothieno(3,2-d)pyrimidin-6-yl)methyl)piperazin-1-yl)-2-(methylsulfonyl)ethanone; lipid kinase inhibitor; anticancer agents ; antiinflammatory agents; antidiabetic agents GENENTECH, INC. (US) 2010-12-07 US disclosed
EP-2046799-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Genentech, Inc. (US) 2009-04-15 EP disclosed
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PLRAMED LIMITED (GB) 2008-02-14 US disclosed
WO-2007127183-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GENENTECH, INC. (US) 2007-11-08 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-20110105464-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PI4KB, PIK3CB, PIK3C2B PIK3CA 6/4885MTOR 86/4885PIK3R1 25/4885
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PIK3CA, PI4KB, PI4KA PIK3CA 1/4885MTOR 43/4885PIK3R1 27/4885

“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.