SCHEMBL2818631

SCHEMBL2818631

CN(C(=O)O)C(=O)Nc1cccc(-c2cc3nc(Cl)nc(N4CCOCC4)c3s2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.45
MTOR P42345 5/20 0.45
PIKFYVE Q9Y2I7 2/20 0.44
PRKDC P78527 1/20 0.44
BRD4 O60885 1/20 0.41
NPY5R Q15761 1/20 0.41
PIK3R1 P27986 3/20 0.41
PIK3C2B O00750 1/20 0.40
STK17B O94768 1/20 0.40
BTK Q06187 1/20 0.39
CASR P41180 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 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
SCHEMBL5109688 0.88 PRKDC (0.57) PIK3CAMTORPIKFYVEPRKDCNPY5R
SCHEMBL1855555 0.87 PIK3CA (0.48) PIK3CAMTORPIKFYVEPRKDCPIK3R1
SCHEMBL5106320 0.85 PIK3CA (0.65) PIK3CAMTOR
SCHEMBL1859404 0.85 PIK3CA (0.42) PIK3CAMTORPIKFYVEPRKDCNPY5R
SCHEMBL1867411 0.85 MTOR (0.47) PIK3CAMTORPIKFYVEPRKDCNPY5R
SCHEMBL5105493 0.84 PIK3CA (0.56) PIK3CAMTORPIKFYVEPRKDCPIK3R1
SCHEMBL1865157 0.84 MEN1 (0.45) PIK3CAMTORPIKFYVEPRKDCPIK3R1
SCHEMBL2818629 0.83 PIKFYVE (0.44) PIK3CAMTORPIKFYVEPRKDCNPY5R
SCHEMBL1857072 0.83 MEN1 (0.49) PIK3CAMTORPIKFYVEPRKDCALDH1A1
SCHEMBL1864775 0.82 MTOR (0.40) PIK3CAMTORPIKFYVEPRKDCNPY5R

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 7 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-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 (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-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PIK3CA, PI4KB, PI4KA PIK3CA 1/4885MTOR 43/4885PIKFYVE 42/4885
US-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, AKT3, PI4KA PIK3CA 1/4885MTOR 11/4885PIKFYVE 27/4885

“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.