SCHEMBL3619087

SCHEMBL3619087

CC(C)(C(N)=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]c(C#N)cc45)nc(N4CCOCC4)c3s2)CC1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.82
CYP3A4 P08684 5/20 0.70
PIK3CA P42336 5/20 0.57
PIK3CB P42338 4/20 0.56
PIK3CG P48736 4/20 0.56
PIK3C2A O00443 1/20 0.56
PLK4 O00444 1/20 0.56
PIK3R2 O00459 1/20 0.56
PIK3C2B O00750 1/20 0.56
GAK O14976 1/20 0.56
EPHB6 O15197 1/20 0.56
DAPK3 O43293 1/20 0.56
STK16 O75716 1/20 0.56
PIK3C2G O75747 1/20 0.56
NTRK1 P04629 1/20 0.56
NQO2 P16083 1/20 0.56
CSNK2A2 P19784 1/20 0.56
JAK1 P23458 1/20 0.56
PIK3R1 P27986 1/20 0.56
TYK2 P29597 1/20 0.56

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
SCHEMBL2467667 0.88 PIK3CD (0.83) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG
SCHEMBL2464190 0.87 PIK3CA (0.62) PIK3CDPIK3CAPIK3CBPIK3CGPIK3C2A
SCHEMBL2109563 0.87 PIK3CD (0.72) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG
SCHEMBL189615 0.87 PIK3CD (1.00) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG
SCHEMBL2431983 0.86 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPIK3CGPIK3C2A
SCHEMBL12013958 0.86 PIK3CA (0.63) PIK3CDPIK3CAPIK3CBPIK3CGPIK3C2A
SCHEMBL2467256 0.84 PIK3CA (0.59) PIK3CDPIK3CAPIK3CBPIK3CGPIK3C2A
SCHEMBL13640251 0.84 PIK3CD (0.59) PIK3CDPIK3CAPIK3CBPIK3CGPIK3C2A
SCHEMBL2673291 0.84 PIK3CD (0.79) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG
SCHEMBL2112167 0.83 PIK3CD (0.82) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG

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
US-8697693-B2 Pharmaceutical compounds F. Hoffmann LaRoche AG (CH) 2014-04-15 US claimed
US-20120283257-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-08 US claimed
US-8252792-B2 Pyrimidine derivatives as PI3K inhibitors F. HOFFMAN-LA ROCHE AG (CH) 2012-08-28 US claimed
US-20100016306-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 US claimed
EP-2032582-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2009-03-11 EP claimed
WO-2007122410-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-11-01 WO claimed
US-8697693-B2 Pharmaceutical compounds F. Hoffmann LaRoche AG (CH) 2014-04-15 US disclosed
US-8697693-B2 Pharmaceutical compounds F. Hoffmann LaRoche AG (CH) 2014-04-15 US disclosed
US-8697693-B2 Pharmaceutical compounds F. Hoffmann LaRoche AG (CH) 2014-04-15 US disclosed
US-20120283257-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-08 US disclosed
US-20120283257-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-08 US disclosed
US-20120283257-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-08 US disclosed
US-8252792-B2 Pyrimidine derivatives as PI3K inhibitors F. HOFFMAN-LA ROCHE AG (CH) 2012-08-28 US disclosed
US-8252792-B2 Pyrimidine derivatives as PI3K inhibitors F. HOFFMAN-LA ROCHE AG (CH) 2012-08-28 US disclosed
US-8252792-B2 Pyrimidine derivatives as PI3K inhibitors F. HOFFMAN-LA ROCHE AG (CH) 2012-08-28 US disclosed
US-20100016306-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 US disclosed
US-20100016306-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 US disclosed
US-20100016306-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 US disclosed
WO-2007122410-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-11-01 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-20120283257-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, PIK3R5 PIK3CD 2/4885CYP3A4 1124/4885PIK3CA 1/4885
US-20100016306-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885CYP3A4 1610/4885PIK3CA 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.