SCHEMBL1864776

SCHEMBL1864776

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIKFYVE Q9Y2I7 2/20 0.42
MTOR P42345 6/20 0.42
PIK3CA P42336 5/20 0.41
PRKDC P78527 1/20 0.40
NPY5R Q15761 1/20 0.40
BTK Q06187 3/20 0.38
PIK3R1 P27986 2/20 0.38
PIK3C2B O00750 2/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
STK17B O94768 1/20 0.36

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
SCHEMBL1859403 0.90 PIKFYVE (0.46) PIKFYVEMTORPIK3CAPRKDCNPY5R
SCHEMBL1867411 0.87 MTOR (0.47) PIKFYVEMTORPIK3CAPRKDCNPY5R
SCHEMBL2820543 0.83 PIK3CA (0.58) MTORPIK3CAPRKDCPIK3R1PIK3C2B
SCHEMBL5109688 0.83 PRKDC (0.57) PIKFYVEMTORPIK3CAPRKDCNPY5R
SCHEMBL1865157 0.82 MEN1 (0.45) PIKFYVEMTORPIK3CAPRKDCPIK3R1
SCHEMBL2818629 0.80 PIKFYVE (0.44) PIKFYVEMTORPIK3CAPRKDCNPY5R
SCHEMBL2818631 0.80 PIK3CA (0.45) PIKFYVEMTORPIK3CAPRKDCNPY5R
SCHEMBL1864775 0.79 MTOR (0.40) PIKFYVEMTORPIK3CAPRKDCNPY5R
SCHEMBL1855555 0.79 PIK3CA (0.48) PIKFYVEMTORPIK3CAPRKDCPIK3R1
SCHEMBL1857072 0.79 MEN1 (0.49) PIKFYVEMTORPIK3CAPRKDCMAPT

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