SCHEMBL1858784

SCHEMBL1858784

Cc1ccc(-c2nc(N3CCOCC3)c3sccc3n2)cc1N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.66
MTOR P42345 6/20 0.66
PIK3C2B O00750 1/20 0.62
CCNE2 O96020 1/20 0.62
PRKACA P17612 1/20 0.62
PRKACG P22612 1/20 0.62
PRKACB P22694 1/20 0.62
CCNE1 P24864 1/20 0.62
CDK2 P24941 1/20 0.62
KDR P35968 1/20 0.62
PIK3CB P42338 1/20 0.62
PIK3CG P48736 1/20 0.62
PIK3R1 P27986 1/20 0.55
KDM4E B2RXH2 1/20 0.54
RAF1 P04049 3/20 0.52
PDGFRB P09619 1/20 0.52
KIT P10721 1/20 0.52
FLT3 P36888 1/20 0.52
BRAF P15056 2/20 0.50
HDAC3 O15379 3/20 0.49

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
SCHEMBL8266691 0.82 PIK3CA (0.76) PIK3CAMTORPIK3C2BCCNE2PRKACA
SCHEMBL19172196 0.82 PIK3CA (0.57) PIK3CAMTORPIK3C2BCCNE2PRKACA
SCHEMBL190642 0.81 PIK3CA (0.70) PIK3CAMTORPIK3CBPIK3CG
SCHEMBL1864574 0.80 PIK3CA (0.63) PIK3CAMTORPIK3C2BCCNE2PRKACA
SCHEMBL4438884 0.80 PIK3CA (0.79) PIK3CAMTORPIK3C2BCCNE2PRKACA
SCHEMBL4436841 0.80 PIK3CA (1.00) PIK3CAMTORPIK3C2BCCNE2PRKACA
SCHEMBL22315026 0.79 PIK3CA (0.74) PIK3CAMTORPIK3C2BCCNE2PRKACA
SCHEMBL24885806 0.79 PIK3CA (0.67) PIK3CAMTORPIK3C2BCCNE2PRKACA
SCHEMBL30078287 0.79 PIK3CA (0.67) PIK3CAMTORPIK3C2BCCNE2PRKACA
SCHEMBL19142239 0.79 PIK3CA (0.61) PIK3CAMTORPIK3C2BCCNE2PRKACA

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 86/4885PIK3C2B 3/4885
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PIK3CA, PI4KB, PI4KA PIK3CA 1/4885MTOR 43/4885PIK3C2B 8/4885

“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.