SCHEMBL12995183

SCHEMBL12995183

CN1CCN(C(=O)c2cccc(-c3cc4c(N5CCOCC5)nc(-c5cnc6c(c5)CCN6)nc4s3)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.59
MTOR P42345 6/20 0.59
PIK3CB P42338 4/20 0.51
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
MAPK1 P28482 2/20 0.45
HSD17B10 Q99714 2/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
GPR55 Q9Y2T6 1/20 0.42
CNR2 P34972 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
CNR1 P21554 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PLK4 O00444 1/20 0.41
JAK2 O60674 1/20 0.41
MAP4K4 O95819 1/20 0.41

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
SCHEMBL4446815 0.86 PIK3CA (0.78) PIK3CAMTORPIK3CBKDM4EALDH1A1
SCHEMBL1860301 0.86 PIK3CA (0.60) PIK3CAMTORPIK3CBKDM4EALDH1A1
SCHEMBL12994883 0.84 PIK3CA (0.76) PIK3CAMTORPIK3CBPLK4JAK2
SCHEMBL4445513 0.81 PIK3CA (0.58) PIK3CAMTORPIK3CBKDM4EALDH1A1
SCHEMBL12994767 0.77 PIK3CA (0.66) PIK3CAMTORPIK3CBPLK4JAK2
SCHEMBL4436181 0.74 PIK3CA (1.00) PIK3CAMTORPIK3CB
SCHEMBL4436679 0.74 PIK3CA (0.87) PIK3CAMTORPIK3CB
SCHEMBL1855769 0.70 PIK3CA (0.71) PIK3CAMTORPIK3CBPLK4FLT3
SCHEMBL14034108 0.69 PIK3CA (0.77) PIK3CAMTORPIK3CBKDM4EALDH1A1
SCHEMBL4439820 0.69 PIK3CA (0.70) PIK3CAMTORPIK3CBKDM4EALDH1A1

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 43/4885PIK3CB 4/4885

“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.