SCHEMBL2817644

SCHEMBL2817644

O=CNCc1cc2nc(Cl)nc(N3CCOCC3)c2s1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.51
PIK3R1 P27986 10/20 0.51
MTOR P42345 7/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
PIK3CD O00329 4/20 0.41
PIK3CB P42338 4/20 0.41
PIK3CG P48736 4/20 0.41

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
SCHEMBL189807 0.86 PIK3CA (0.53) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD
SCHEMBL1864522 0.86 PIK3CA (0.56) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD
SCHEMBL1284571 0.84 PIK3CA (0.49) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD
SCHEMBL1284158 0.84 PIK3CA (0.55) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD
SCHEMBL4892371 0.83 PIK3CA (0.48) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD
SCHEMBL1284726 0.83 PIK3CA (0.48) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD
SCHEMBL1285138 0.83 PIK3CA (0.48) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD
SCHEMBL25391998 0.83 PIK3CA (0.57) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD
SCHEMBL189813 0.83 PIK3CA (0.49) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD
SCHEMBL1284054 0.82 PIK3CA (0.47) PIK3CAPIK3R1MTORSMN1; 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 6 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-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 (1 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-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PIK3CA, PI4KB, PI4KA PIK3CA 1/4885PIK3R1 27/4885MTOR 43/4885

“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.