SCHEMBL1865157

SCHEMBL1865157

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PIK3CA P42336 8/20 0.45
MTOR P42345 4/20 0.45
PRKDC P78527 1/20 0.44
PIKFYVE Q9Y2I7 1/20 0.43
PIK3CD O00329 2/20 0.42
PIK3CG P48736 1/20 0.42
JAK3 P52333 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PIK3R1 P27986 2/20 0.42
STK17B O94768 1/20 0.42
CYP3A4 P08684 1/20 0.41
AKT1 P31749 1/20 0.41
PIK3CB P42338 1/20 0.41
P2RX3 P56373 1/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 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
SCHEMBL1855555 0.90 PIK3CA (0.48) MEN1KMT2APIK3CAMTORPRKDC
SCHEMBL1857072 0.90 MEN1 (0.49) MEN1KMT2APIK3CAMTORPRKDC
SCHEMBL2818629 0.90 PIKFYVE (0.44) MEN1KMT2APIK3CAMTORPRKDC
SCHEMBL5109688 0.89 PRKDC (0.57) MEN1KMT2APIK3CAMTORPRKDC
SCHEMBL1867411 0.88 MTOR (0.47) PIK3CAMTORPRKDCPIKFYVEPIK3R1
SCHEMBL1859404 0.86 PIK3CA (0.42) MEN1KMT2APIK3CAMTORPRKDC
SCHEMBL4435182 0.86 PIK3CA (0.44) PIK3CAMTORPIKFYVEPIK3CDPIK3CG
SCHEMBL2818631 0.84 PIK3CA (0.45) PIK3CAMTORPRKDCPIKFYVEJAK3
SCHEMBL1864775 0.84 MTOR (0.40) MEN1KMT2APIK3CAMTORPRKDC
SCHEMBL1859403 0.83 PIKFYVE (0.46) PIK3CAMTORPRKDCPIKFYVEJAK3

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 MEN1 2092/4885KMT2A 4037/4885PIK3CA 6/4885
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PIK3CA, PI4KB, PI4KA MEN1 1739/4885KMT2A 3750/4885PIK3CA 1/4885

“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.