SCHEMBL2467256

SCHEMBL2467256

N#Cc1cc2c(-c3nc(N4CCOCC4)c4sc(CN5CCN(CC6CC6)CC5)cc4n3)cccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.59
PIK3CD O00329 18/20 0.58
PIK3CB P42338 13/20 0.58
PIK3R1 P27986 2/20 0.58
PIK3CG P48736 12/20 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
TYK2 P29597 1/20 0.56
AKT1 P31749 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
SCHEMBL2464190 0.91 PIK3CA (0.62) PIK3CAPIK3CDPIK3CBPIK3R1PIK3CG
SCHEMBL12013958 0.89 PIK3CA (0.63) PIK3CAPIK3CDPIK3CBPIK3R1PIK3CG
SCHEMBL13640251 0.89 PIK3CD (0.59) PIK3CAPIK3CDPIK3CBPIK3R1PIK3CG
SCHEMBL2431983 0.88 PIK3CD (0.60) PIK3CAPIK3CDPIK3CBPIK3R1PIK3CG
SCHEMBL2468095 0.87 PIK3CD (0.57) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL12013712 0.87 PIK3CD (0.61) PIK3CAPIK3CDPIK3CBPIK3R1PIK3CG
SCHEMBL2469473 0.87 PIK3CD (0.62) PIK3CAPIK3CDPIK3CBPIK3R1PIK3CG
SCHEMBL1088587 0.85 PIK3CA (0.81) PIK3CAPIK3CDPIK3CBPIK3R1PIK3CG
SCHEMBL3624259 0.85 PIK3CD (0.78) PIK3CAPIK3CDPIK3CBPIK3R1PIK3CG
SCHEMBL3619087 0.84 PIK3CD (0.82) PIK3CAPIK3CDPIK3CBPIK3R1PIK3CG

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
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
EP-2365810-A2 PHOSPHATIDYLINOSITOL-3-KINASE P110 DELTA-TARGETED DRUGS IN THE TREATMENT OF CNS DISORDERS The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) 2011-09-21 EP disclosed
WO-2010065923-A2 PHOSPHATIDYLINOSITOL-3-KINASE P110 DELTA-TARGETED DRUGS IN THE TREATMENT OF CNS DISORDERS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-06-10 WO 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 PIK3CA 1/4885PIK3CD 2/4885PIK3CB 6/4885
US-20100016306-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885PIK3CD 2/4885PIK3CB 3/4885

“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.