SCHEMBL393580

SCHEMBL393580

CN(C)C1CCN(Cc2cc3nc(-c4cccc5[nH]ccc45)nc(N4CCOCC4)c3s2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 1.00
PIK3CA P42336 16/20 0.84
PIK3CB P42338 16/20 0.84
PIK3CG P48736 16/20 0.84
CYP3A4 P08684 1/20 0.77

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
SCHEMBL2468446 0.92 PIK3CD (0.85) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL393460 0.90 PIK3CD (0.81) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2110747 0.90 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGCYP3A4
SCHEMBL3622849 0.89 PIK3CD (0.81) PIK3CDPIK3CAPIK3CBPIK3CGCYP3A4
SCHEMBL391076 0.89 PIK3CD (0.80) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2466623 0.89 PIK3CD (0.79) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2435469 0.88 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2469939 0.88 PIK3CD (0.81) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL393696 0.88 PIK3CD (0.81) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL994929 0.88 PIK3CD (0.78) PIK3CDPIK3CAPIK3CBPIK3CG

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812444-B1 PHARMACEUTICAL COMPOUNDS PIRAMED LTD (GB) 2015-08-26 EP claimed
US-8697693-B2 Pharmaceutical compounds F. Hoffmann LaRoche AG (CH) 2014-04-15 US claimed
US-8252792-B2 Pyrimidine derivatives as PI3K inhibitors F. HOFFMAN-LA ROCHE AG (CH) 2012-08-28 US claimed
US-8101607-B2 Pharmaceutical compounds F. HOFFMAN-LA ROCHE AG (CH) 2012-01-24 US claimed
US-20100280027-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-04 US claimed
US-7776856-B2 Pharmaceutical compounds F. HOFFMAN-LA ROCHE AG (CH) 2010-08-17 US claimed
US-20100016306-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 US claimed
US-20090131429-A1 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2009-05-21 US claimed
EP-1812444-A1 PHARMACEUTICAL COMPOUNDS Piramed Limited (GB) 2007-08-01 EP claimed
WO-2006046035-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2006-05-04 WO claimed
US-9949979-B2 Use of inhibitors of the activity or function of PI3K NOVARTIS AG (CH) 2018-04-24 US disclosed
US-9949979-B2 Use of inhibitors of the activity or function of PI3K NOVARTIS AG (CH) 2018-04-24 US disclosed
US-20150342951-A1 Use of Inhibitors of the Activity or Function of PI3K NOVARTIS AG (CH) 2015-12-03 US disclosed
US-20150342951-A1 Use of Inhibitors of the Activity or Function of PI3K NOVARTIS AG (CH) 2015-12-03 US disclosed
EP-1812444-B1 PHARMACEUTICAL COMPOUNDS PIRAMED LTD (GB) 2015-08-26 EP disclosed
US-20090131429-A1 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2009-05-21 US disclosed
EP-2032582-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2009-03-11 EP disclosed
WO-2007122410-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-11-01 WO disclosed
EP-1812444-A1 PHARMACEUTICAL COMPOUNDS Piramed Limited (GB) 2007-08-01 EP disclosed
WO-2006046035-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 (4 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-20100280027-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3C2B, PIK3C2A PIK3CD 4/4885PIK3CA 1/4885PIK3CB 5/4885
US-20090131429-A1 Pharmaceutical compounds PIK3CA, PIK3C2B, PIK3CD PIK3CD 3/4885PIK3CA 1/4885PIK3CB 12/4885
US-20100016306-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3CA 1/4885PIK3CB 3/4885
US-20150342951-A1 Use of Inhibitors of the Activity or Function of PI3K TLR9, PIK3CD, PIK3R5 PIK3CD 2/4885PIK3CA 8/4885PIK3CB 9/4885

“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.