SCHEMBL2394974

SCHEMBL2394974

CCn1c(CN2CCC(C(N)=O)(N3CCOCC3)CC2)nc2c(N3CCOCC3)nc(-c3cccc4[nH]ccc34)nc21

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.49
PIK3CA P42336 15/20 0.45
PIK3CB P42338 10/20 0.45
PIK3CG P48736 10/20 0.45
MTOR P42345 4/20 0.45
ATR Q13535 3/20 0.45
PARP1 P09874 1/20 0.45
PRKDC P78527 1/20 0.44

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
SCHEMBL12267856 0.88 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL13349747 0.88 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL2397265 0.86 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL2395806 0.86 PIK3CD (0.66) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL2394249 0.84 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL12267760 0.84 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL2394642 0.83 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL2394845 0.83 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL2394645 0.83 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL2396396 0.83 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBPIK3CGMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215090-A1 PURINE DERIVATIVES USEFUL AS PI3 KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-08-11 EP claimed
WO-2009053716-A1 PURINE DERIVATIVES USEFUL AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO claimed
EP-2215090-B1 PURINE DERIVATIVES USEFUL AS PI3 KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2015-03-04 EP disclosed
US-20110230464-A1 PURINE DERIVATIVES USEFUL AS P13 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 US disclosed
US-20110230464-A1 PURINE DERIVATIVES USEFUL AS P13 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 US disclosed
US-20110230464-A1 PURINE DERIVATIVES USEFUL AS P13 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 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
EP-2225235-A2 THIAZOLE CARBOXAMIDE DERIVATIVES AND THEIR USE TO TREAT CANCER Schering Corporation (US) 2010-09-08 EP disclosed
EP-2215090-A1 PURINE DERIVATIVES USEFUL AS PI3 KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-08-11 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
WO-2009058729-A2 THIAZOLE CARBOXAMIDE DERIVATIVES AND THEIR TO TREAT CANCER SCHERING CORPORATION (US) 2009-05-07 WO disclosed
WO-2009053716-A1 PURINE DERIVATIVES USEFUL AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO disclosed
WO-2009053716-A1 PURINE DERIVATIVES USEFUL AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2009-04-30 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 (1 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-20110230464-A1 PURINE DERIVATIVES USEFUL AS P13 KINASE INHIBITORS PIK3CA, PIK3CD, PI4KA PIK3CD 2/4885PIK3CA 1/4885PIK3CB 4/4885

“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.