SCHEMBL1088916

SCHEMBL1088916

O=S(=O)(CCCN1CCOCC1)N1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.58
PIK3R1 P27986 3/20 0.58
PIK3CD O00329 13/20 0.54
PIK3CB P42338 10/20 0.54
PIK3CG P48736 10/20 0.54
MTOR P42345 3/20 0.51
PIK3C2A O00443 1/20 0.47
PLK4 O00444 1/20 0.47
PIK3R2 O00459 1/20 0.47
PIK3C2B O00750 1/20 0.47
GAK O14976 1/20 0.47
EPHB6 O15197 1/20 0.47
DAPK3 O43293 1/20 0.47
STK16 O75716 1/20 0.47
PIK3C2G O75747 1/20 0.47
NTRK1 P04629 1/20 0.47
NQO2 P16083 1/20 0.47
CSNK2A2 P19784 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47

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
SCHEMBL190553 0.89 PIK3CA (0.63) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL1181219 0.89 PIK3CA (0.67) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL1088408 0.89 PIK3CA (0.58) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL1181814 0.85 PIK3CA (0.66) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL189763 0.85 PIK3CA (0.80) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL1180873 0.84 PIK3CA (0.62) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL1088049 0.84 PIK3CA (0.58) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL192042 0.84 PIK3CA (0.63) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL190611 0.82 PIK3CA (0.75) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL190552 0.82 PIK3CA (0.64) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812445-B1 PHARMACEUTICAL COMPOUNDS PIRAMED LTD (GB) 2015-12-30 EP disclosed
US-8946217-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2015-02-03 US disclosed
US-20140294946-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-10-02 US disclosed
US-8697693-B2 Pharmaceutical compounds F. Hoffmann LaRoche AG (CH) 2014-04-15 US disclosed
US-20130317017-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMAN-LA ROCHE AG (CH) 2013-11-28 US disclosed
US-20120283257-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-08 US disclosed
US-20120258966-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMAN-LA ROCHE AG (CH) 2012-10-11 US disclosed
US-8252792-B2 Pyrimidine derivatives as PI3K inhibitors F. HOFFMAN-LA ROCHE AG (CH) 2012-08-28 US disclosed
US-8153629-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2012-04-10 US disclosed
US-20100234370-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2010-09-16 US disclosed
US-7750002-B2 Pharmaceutical compounds PIRAMED LIMITED (GB) 2010-07-06 US disclosed
US-20100016306-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 US disclosed
EP-2032582-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2009-03-11 EP disclosed
US-20080207611-A1 Pharmaceutical compounds PLRAMED LIMITED (GB) 2008-08-28 US disclosed
WO-2007122410-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-11-01 WO disclosed
EP-1812445-A1 PHARMACEUTICAL COMPOUNDS Piramed Limited (GB) 2007-08-01 EP disclosed
WO-2006046031-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2006-05-04 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 (7 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-20120283257-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, PIK3R5 PIK3CA 1/4885PIK3R1 4/4885PIK3CD 2/4885
US-20140294946-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 PIK3CA 1/4885PIK3R1 3/4885PIK3CD 12/4885
US-20100234370-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 PIK3CA 1/4885PIK3R1 3/4885PIK3CD 12/4885
US-20080207611-A1 Pharmaceutical compounds PIK3CA, JAK2, PIK3R1 PIK3CA 1/4885PIK3R1 3/4885PIK3CD 12/4885
US-20100016306-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885PIK3R1 4/4885PIK3CD 2/4885
US-20120258966-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 PIK3CA 1/4885PIK3R1 3/4885PIK3CD 12/4885
US-20130317017-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 PIK3CA 1/4885PIK3R1 3/4885PIK3CD 12/4885

“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.