SCHEMBL4446284

SCHEMBL4446284

CC(C)(C)OC(=O)N1CCC(n2cnc3c(N4CCOCC4)nc(Cl)nc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.49
MTOR P42345 12/20 0.49
PIK3CG P48736 12/20 0.49
ATR Q13535 2/20 0.47
AURKB Q96GD4 1/20 0.47
NT5E P21589 2/20 0.47
GPR119 Q8TDV5 1/20 0.44
RECQL P46063 1/20 0.43
HCAR1 Q9BXC0 1/20 0.42
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
USP30 Q70CQ3 1/20 0.41

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
SCHEMBL336144 0.95 PIK3CA (0.46) PIK3CAMTORPIK3CGATRAURKB
SCHEMBL14071957 0.90 PIK3CA (0.50) PIK3CAMTORPIK3CGATRAURKB
SCHEMBL27781912 0.86 NT5E (0.47) PIK3CAMTORPIK3CGNT5E
SCHEMBL4556426 0.85 PIK3CA (0.52) PIK3CAMTORPIK3CGNT5E
SCHEMBL1913691 0.84 HCAR1 (0.48) GPR119HCAR1
SCHEMBL30677299 0.84 HCAR1 (0.48) GPR119HCAR1
SCHEMBL3427276 0.82 PIK3CA (0.50) PIK3CAMTORPIK3CGATRAURKB
SCHEMBL25237682 0.82 NT5E (0.52) PIK3CAMTORPIK3CGNT5E
SCHEMBL4437751 0.82 PIK3CA (0.71) PIK3CAMTORPIK3CGATRAURKB
SCHEMBL775864 0.82 PIK3CA (0.49) PIK3CAMTORPIK3CGNT5E

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 4/4885MTOR 1/4885PIK3CG 16/4885

“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.