SCHEMBL1859404

SCHEMBL1859404

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.42
MTOR P42345 4/20 0.42
PIKFYVE Q9Y2I7 1/20 0.42
PRKDC P78527 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
STK17B O94768 1/20 0.39
PIK3R1 P27986 1/20 0.39
NPY5R Q15761 1/20 0.39
P2RX3 P56373 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PIK3C2B O00750 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
SCHEMBL1855555 0.90 PIK3CA (0.48) PIK3CAMTORPIKFYVEPRKDCMEN1
SCHEMBL1864775 0.87 MTOR (0.40) PIK3CAMTORPIKFYVEPRKDCMEN1
SCHEMBL1865157 0.86 MEN1 (0.45) PIK3CAMTORPIKFYVEPRKDCMEN1
SCHEMBL2818631 0.85 PIK3CA (0.45) PIK3CAMTORPIKFYVEPRKDCALDH1A1
SCHEMBL1857072 0.85 MEN1 (0.49) PIK3CAMTORPIKFYVEPRKDCMEN1
SCHEMBL2818629 0.85 PIKFYVE (0.44) PIK3CAMTORPIKFYVEPRKDCMEN1
SCHEMBL5109688 0.84 PRKDC (0.57) PIK3CAMTORPIKFYVEPRKDCMEN1
SCHEMBL1863552 0.83 PIK3CA (0.59) PIK3CAMTORPRKDCPIK3CDPIK3CB
SCHEMBL1867411 0.81 MTOR (0.47) PIK3CAMTORPIKFYVEPRKDCSTK17B
SCHEMBL1859403 0.81 PIKFYVE (0.46) PIK3CAMTORPIKFYVEPRKDCALDH1A1

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 PIK3CA 6/4885MTOR 86/4885PIKFYVE 16/4885
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PIK3CA, PI4KB, PI4KA PIK3CA 1/4885MTOR 43/4885PIKFYVE 42/4885

“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.