SCHEMBL1857085

SCHEMBL1857085

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 2/20 0.43
SCN10A Q9Y5Y9 2/20 0.43
CHEK1 O14757 8/20 0.42
PIK3CA P42336 8/20 0.42
PIK3R1 P27986 6/20 0.42
CDK7 P50613 2/20 0.41
MTOR P42345 7/20 0.41
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38

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
SCHEMBL1857076 1.00 SCN2A (0.43) SCN2ASCN10ACHEK1PIK3CAPIK3R1
SCHEMBL1858503 0.89 PIK3CA (0.49) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL1858510 0.89 PIK3CA (0.49) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL1859064 0.88 CHEK1 (0.51) SCN2ASCN10ACHEK1PIK3CAPIK3R1
SCHEMBL1858038 0.83 PIK3CA (0.48) CHEK1PIK3CAPIK3R1MTORPIK3CD
SCHEMBL1859830 0.81 PIK3CA (0.45) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL1858483 0.81 PIK3CA (0.63) PIK3CAPIK3R1CDK7MTORPIK3CD
SCHEMBL1858484 0.81 PIK3CA (0.63) PIK3CAPIK3R1CDK7MTORPIK3CD
SCHEMBL19142279 0.81 MTOR (0.47) PIK3CAPIK3R1CDK7MTORPIK3CD
SCHEMBL1867000 0.78 PIK3CA (0.52) PIK3CAPIK3R1MTORPIK3CDPIK3CB

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 SCN2A 3377/4885SCN10A 3534/4885CHEK1 69/4885
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PIK3CA, PI4KB, PI4KA SCN2A 3314/4885SCN10A 2941/4885CHEK1 107/4885

“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.