SCHEMBL2818629

SCHEMBL2818629

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIKFYVE Q9Y2I7 1/20 0.44
PIK3CA P42336 5/20 0.43
MTOR P42345 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
P2RX3 P56373 1/20 0.42
PRKDC P78527 1/20 0.42
NPY5R Q15761 1/20 0.41
STK17B O94768 1/20 0.41
JAK3 P52333 3/20 0.41
JAK1 P23458 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PIK3R1 P27986 2/20 0.40

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
SCHEMBL1865157 0.90 MEN1 (0.45) PIKFYVEPIK3CAMTORMEN1KMT2A
SCHEMBL1855555 0.87 PIK3CA (0.48) PIKFYVEPIK3CAMTORMEN1KMT2A
SCHEMBL1857072 0.87 MEN1 (0.49) PIKFYVEPIK3CAMTORMEN1KMT2A
SCHEMBL5109688 0.86 PRKDC (0.57) PIKFYVEPIK3CAMTORMEN1KMT2A
SCHEMBL5106307 0.85 PIK3CA (0.62) PIK3CAMTOR
SCHEMBL1859404 0.85 PIK3CA (0.42) PIKFYVEPIK3CAMTORMEN1KMT2A
SCHEMBL5105485 0.84 PIK3CA (0.54) PIKFYVEPIK3CAMTORJAK3JAK1
SCHEMBL2818631 0.83 PIK3CA (0.45) PIKFYVEPIK3CAMTORPRKDCNPY5R
SCHEMBL1867411 0.83 MTOR (0.47) PIKFYVEPIK3CAMTORPRKDCNPY5R
SCHEMBL1864775 0.82 MTOR (0.40) PIKFYVEPIK3CAMTORMEN1KMT2A

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 PIKFYVE 42/4885PIK3CA 1/4885MTOR 43/4885
US-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, AKT3, PI4KA PIKFYVE 27/4885PIK3CA 1/4885MTOR 11/4885

“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.