SCHEMBL436324

SCHEMBL436324

Cc1nc(NC(=O)CCOCCOCCOCCOCCN)sc1-c1ccc(Cl)c(S(C)(=O)=O)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 14/20 0.55
▸ PIK3CG P48736 14/20 0.55
▸ PIK3CA P42336 10/20 0.55
▸ PIK3CB P42338 8/20 0.55
▸ PI4KB Q9UBF8 7/20 0.51
▸ PIK3C3 Q8NEB9 3/20 0.51
▸ PIK3C2A O00443 1/20 0.51
▸ PIK3C2B O00750 1/20 0.51
▸ PI4KA P42356 1/20 0.51
▸ PRKDC P78527 1/20 0.51

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
Hydrochloric Acid SCHEMBL435504 0.99 PIK3CD (0.54) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
Hydrochlorthiazide SCHEMBL459506 0.93 PIK3CD (0.48) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL435741 0.86 PIK3CD (0.54) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL434648 0.83 PIK3CD (0.65) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL4222907 0.81 PIK3CD (0.56) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL4222887 0.81 PIK3CD (0.56) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL48762 0.81 PIK3CD (0.67) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL21301610 0.80 PIK3CD (0.56) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL14384982 0.80 PIK3CD (0.54) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
Hydrochloric Acid SCHEMBL4707313 0.80 TGFBR1 (0.37) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2410062-A1 Selectivity profiling of PI3K interacting molecules against multiple targets CELLZOME AG (DE) 2012-01-25 — — EP claimed
EP-2245181-B1 SELECTIVITY PROFILING OF PI3K INTERACTING MOLECULES AGAINST MULTIPLE TARGETS CELLZOME AG (DE) 2011-10-12 — — EP claimed
EP-1887359-B1 Methods for the identification of PI3K interacting molecules and for the purification of PI3K CELLZOME AG (DE) 2008-11-12 — — EP claimed
US-11254671-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-02-22 — — US disclosed
US-20210163472-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-06-03 — — US disclosed
US-8153389-B2 Methods for the identification of PI3K interacting molecules and for the purification of PI3K Cellzone AG (DE) 2012-04-10 — — US disclosed
US-8153389-B2 Methods for the identification of PI3K interacting molecules and for the purification of PI3K Cellzone AG (DE) 2012-04-10 — — US disclosed
EP-2410062-A1 Selectivity profiling of PI3K interacting molecules against multiple targets CELLZOME AG (DE) 2012-01-25 — — EP disclosed
EP-2410062-A1 Selectivity profiling of PI3K interacting molecules against multiple targets CELLZOME AG (DE) 2012-01-25 — — EP disclosed
EP-2245181-B1 SELECTIVITY PROFILING OF PI3K INTERACTING MOLECULES AGAINST MULTIPLE TARGETS CELLZOME AG (DE) 2011-10-12 — — EP disclosed
EP-2245181-B1 SELECTIVITY PROFILING OF PI3K INTERACTING MOLECULES AGAINST MULTIPLE TARGETS CELLZOME AG (DE) 2011-10-12 — — EP disclosed
US-20110111972-A1 SELECTIVITY PROFILING OF PI3K INTERACTING MOLECULES AGAINST MULTIPLE TARGETS CELLZOME AG (DE) 2011-05-12 — — US disclosed
US-20110111972-A1 SELECTIVITY PROFILING OF PI3K INTERACTING MOLECULES AGAINST MULTIPLE TARGETS CELLZOME AG (DE) 2011-05-12 — — US disclosed
EP-2245181-A1 SELECTIVITY PROFILING OF PI3K INTERACTING MOLECULES AGAINST MULTIPLE TARGETS CELLZOME AG (DE) 2010-11-03 — — EP disclosed
US-20100055711-A1 METHODS FOR THE IDENTIFICATION OF PI3K INTERACTING MOLECULES AND FOR THE PURIFICATION OF PI3K CELLZOME AG (DE) 2010-03-04 — — US disclosed
US-20100055711-A1 METHODS FOR THE IDENTIFICATION OF PI3K INTERACTING MOLECULES AND FOR THE PURIFICATION OF PI3K CELLZOME AG (DE) 2010-03-04 — — US disclosed
WO-2009098021-A1 SELECTIVITY PROFILING OF PI3K INTERACTING MOLECULES AGAINST MULTIPLE TARGETS CELLZOME AG (DE) 2009-08-13 — — WO disclosed
EP-1887359-A1 Methods for the identification of PI3K interacting molecules and for the purification of PI3K CELLZOME AG (DE) 2008-02-13 — — EP disclosed
WO-2008015013-A1 METHODS FOR THE IDENTIFICATION OF PI3K INTERACTING MOLECULES AND FOR THE PURIFICATION OF PI3K CELLZOME AG (DE) 2008-02-07 — — WO 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-20210163472-A1 CHEMICAL COMPOUNDS MTOR, RICTOR, RPTOR PIK3CD 98/4885PIK3CG 135/4885PIK3CA 60/4885
US-11254671-B2 Chemical compounds MTOR, RICTOR, RPTOR PIK3CD 98/4885PIK3CG 135/4885PIK3CA 60/4885

“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.

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