SCHEMBL4437758

SCHEMBL4437758

COCOc1cncc(-c2nc(N3CCOCC3)c3ncn(C4CCN(C(=O)OC(C)(C)C)CC4)c3n2)c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.56
PIK3CG P48736 20/20 0.56
MTOR P42345 19/20 0.56
ATR Q13535 2/20 0.49
AURKB Q96GD4 1/20 0.49

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
SCHEMBL3426290 0.88 PIK3CA (0.52) PIK3CAPIK3CGMTORATRAURKB
SCHEMBL4449370 0.84 PIK3CA (0.50) PIK3CAPIK3CGMTOR
SCHEMBL4437751 0.81 PIK3CA (0.71) PIK3CAPIK3CGMTORATRAURKB
SCHEMBL4439320 0.81 PIK3CA (0.80) PIK3CAPIK3CGMTORATRAURKB
SCHEMBL14071957 0.79 PIK3CA (0.50) PIK3CAPIK3CGMTORATRAURKB
SCHEMBL4446284 0.79 PIK3CA (0.49) PIK3CAPIK3CGMTORATRAURKB
SCHEMBL336322 0.77 PIK3CA (0.49) PIK3CAPIK3CGMTORATRAURKB
SCHEMBL336144 0.74 PIK3CA (0.46) PIK3CAPIK3CGMTORATRAURKB
SCHEMBL3429537 0.73 PIK3CA (0.54) PIK3CAPIK3CGMTORATRAURKB
SCHEMBL777139 0.73 PIK3CA (0.49) PIK3CAPIK3CGMTORATRAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125815-A2 IMIDAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS PI3 KINASE AND MTOR INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-12-02 EP claimed
WO-2008116129-A2 IMIDAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS PI3 KINASE AND MTOR INHIBITORS WYETH (US) 2008-09-25 WO claimed
US-20080233127-A1 IMIDAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS PI3 KINASE AND MTOR INHIBITORS WYETH (US) 2008-09-25 US claimed
EP-2125815-A2 IMIDAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS PI3 KINASE AND MTOR INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-12-02 EP disclosed
WO-2008116129-A2 IMIDAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS PI3 KINASE AND MTOR INHIBITORS WYETH (US) 2008-09-25 WO disclosed
US-20080233127-A1 IMIDAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS PI3 KINASE AND MTOR INHIBITORS WYETH (US) 2008-09-25 US 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-20080233127-A1 IMIDAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS PI3 KINASE AND MTOR INHIBITORS MTOR, RICTOR, MTMR1 PIK3CA 4/4885PIK3CG 16/4885MTOR 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.