SCHEMBL1867692

SCHEMBL1867692

CC(C)(C)OC(=O)N1CCC(C(O)c2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.45
PIK3R1 P27986 6/20 0.45
MTOR P42345 4/20 0.43
PIK3CD O00329 2/20 0.42
PIK3CG P48736 2/20 0.40
ATR Q13535 2/20 0.40
AURKB Q96GD4 1/20 0.40
EED O75530 1/20 0.40
RBBP4 Q09028 1/20 0.40
SUZ12 Q15022 1/20 0.40
EZH2 Q15910 1/20 0.40
AEBP2 Q6ZN18 1/20 0.40
RECQL P46063 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
USP2 O75604 1/20 0.38
USP30 Q70CQ3 1/20 0.37

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
SCHEMBL1863872 0.81 PIK3CA (0.47) PIK3CAPIK3R1MTORPIK3CDPIK3CG
SCHEMBL1181701 0.80 PIK3CA (0.44) PIK3CAPIK3R1MTORPIK3CDPIK3CG
SCHEMBL1867260 0.79 PIK3CA (0.42) PIK3CAPIK3R1MTORPIK3CDPIK3CG
SCHEMBL466290 0.79 PIK3CD (0.52) PIK3CAPIK3R1MTORPIK3CDPIK3CG
SCHEMBL1181585 0.78 PIK3CD (0.43) PIK3CAPIK3R1MTORPIK3CDPIK3CG
SCHEMBL190039 0.78 PIK3CD (0.43) PIK3CAPIK3R1MTORPIK3CDPIK3CG
SCHEMBL2672415 0.78 PIK3CD (0.43) PIK3CAPIK3R1MTORPIK3CDPIK3CG
SCHEMBL1865963 0.78 PIK3CA (0.42) PIK3CAPIK3R1MTORPIK3CDPIK3CG
SCHEMBL1088548 0.78 PIK3CD (0.48) PIK3CAPIK3R1MTORPIK3CDPIK3CG
SCHEMBL1860950 0.77 PIK3CD (0.41) PIK3CAPIK3R1MTORPIK3CDPIK3CG

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 5 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
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PLRAMED LIMITED (GB) 2008-02-14 US 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.