SCHEMBL1855804

SCHEMBL1855804

COCC=Cc1cc2nc(Cl)nc(N3CCOCC3)c2s1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
PIK3CA P42336 18/20 0.43
PIK3R1 P27986 12/20 0.43
MTOR P42345 8/20 0.40
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
SYK P43405 1/20 0.36
PIK3CG P48736 1/20 0.36
MAP3K9 P80192 1/20 0.36

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
SCHEMBL1855801 1.00 SMN1; SMN2 (0.48) SMN1; SMN2PIK3CAPIK3R1MTORPIK3CD
SCHEMBL1862204 0.85 SMN1; SMN2 (0.51) SMN1; SMN2PIK3CAPIK3R1MTORPIK3CD
SCHEMBL1862202 0.85 SMN1; SMN2 (0.51) SMN1; SMN2PIK3CAPIK3R1MTORPIK3CD
SCHEMBL1862672 0.81 PIK3CA (0.53) SMN1; SMN2PIK3CAPIK3R1MTORPIK3CD
SCHEMBL5116425 0.80 PIK3CA (0.64) PIK3CAMTORPIK3CDPIK3CBSYK
SCHEMBL4439816 0.80 PIK3CA (0.64) PIK3CAMTORPIK3CDPIK3CBSYK
SCHEMBL189813 0.80 PIK3CA (0.49) SMN1; SMN2PIK3CAPIK3R1MTORPIK3CD
SCHEMBL1623283 0.79 SMN1; SMN2 (0.60) SMN1; SMN2PIK3CAPIK3R1MTORPIK3CD
SCHEMBL1862359 0.79 PIK3CA (0.44) SMN1; SMN2PIK3CAPIK3R1MTORPIK3CD
SCHEMBL1866231 0.79 PIK3CA (0.44) SMN1; SMN2PIK3CAPIK3R1MTORPIK3CD

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 8 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-9487533-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2016-11-08 US disclosed
EP-2114950-B1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2016-03-09 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-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2008-10-30 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 (3 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 SMN1; SMN2 1342/4885PIK3CA 6/4885PIK3R1 25/4885
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PIK3CA, PI4KB, PI4KA SMN1; SMN2 1774/4885PIK3CA 1/4885PIK3R1 27/4885
US-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, AKT3, PI4KA SMN1; SMN2 1323/4885PIK3CA 1/4885PIK3R1 16/4885

“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.