SCHEMBL2819277

SCHEMBL2819277

Cc1c(-c2cccc(C(=O)N3CCC(O)CC3)c2)sc2c(N3CCOCC3)nc(Cl)nc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.62
MTOR P42345 8/20 0.62
KDM4E B2RXH2 1/20 0.40
PARP1 P09874 5/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
PIK3CB P42338 2/20 0.39
PIK3CG P48736 2/20 0.39
PIK3CD O00329 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
MGLL Q99685 1/20 0.39
PLK4 O00444 1/20 0.38
JAK2 O60674 1/20 0.38
MAP4K4 O95819 1/20 0.38
ROS1 P08922 1/20 0.38
FGFR1 P11362 1/20 0.38
FLT1 P17948 1/20 0.38
MARK3 P27448 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
SCHEMBL1861923 0.91 PIK3CA (0.75) PIK3CAMTORKDM4EPARP1HPGD
SCHEMBL1866732 0.87 PIK3CA (0.57) PIK3CAMTORKDM4EHPGDMEN1
SCHEMBL4439783 0.86 PIK3CA (0.84) PIK3CAMTORPARP1PIK3CBPIK3CG
SCHEMBL1868745 0.83 PIK3CA (0.66) PIK3CAMTORPARP1PIK3CBPIK3CG
SCHEMBL4433784 0.81 PIK3CA (0.56) PIK3CAMTORPIK3CBPIK3CGPIK3CD
SCHEMBL12994767 0.81 PIK3CA (0.66) PIK3CAMTORPARP1PIK3CBPIK3CG
SCHEMBL1862517 0.81 PIK3CA (0.52) PIK3CAMTORPIK3CBPIK3CGPIK3CD
SCHEMBL14034194 0.80 PIK3CA (0.83) PIK3CAMTORPARP1PIK3CBPIK3CG
SCHEMBL5109178 0.79 MTOR (0.56) PIK3CAMTORKDM4EPARP1HPGD
SCHEMBL4447055 0.79 MTOR (0.51) PIK3CAMTORKDM4EPARP1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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 1/4885MTOR 43/4885KDM4E 3626/4885

“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.