SCHEMBL1858038

SCHEMBL1858038

O=C(O)c1cncc(-c2cc3nc(Cl)nc(N4CCOCC4)c3s2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.48
PIK3R1 P27986 10/20 0.48
MTOR P42345 9/20 0.45
PIK3CD O00329 2/20 0.42
PIK3CB P42338 2/20 0.42
PIK3CG P48736 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
SYK P43405 1/20 0.40
MAP3K9 P80192 1/20 0.40
POLB P06746 1/20 0.39
PIKFYVE Q9Y2I7 1/20 0.39
CHEK1 O14757 1/20 0.39
PRKCI P41743 1/20 0.39

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
SCHEMBL1859064 0.89 CHEK1 (0.51) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL5105191 0.87 PIK3CA (0.51) PIK3CAPIK3R1MTORPIK3CGSMN1; SMN2
SCHEMBL1859830 0.86 PIK3CA (0.45) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL1862960 0.86 PIK3CA (0.55) PIK3CAPIK3R1MTORPIKFYVEPRKCI
SCHEMBL1857076 0.83 SCN2A (0.43) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL1857085 0.83 SCN2A (0.43) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL21054518 0.81 PIK3CA (0.53) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL14034104 0.80 NPY5R (0.57) PIK3CAPIK3R1MTORPIKFYVEPRKCI
SCHEMBL5108968 0.79 PIK3CA (0.56) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL1861416 0.78 PIK3CA (0.64) PIK3CAPIK3R1MTORPIKFYVEPRKCI

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 6/4885PIK3R1 25/4885MTOR 86/4885
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.