SCHEMBL4440236

SCHEMBL4440236

Clc1nc(N2CCOCC2)c2ncn(C3CCN(Cc4ccccc4)CC3)c2n1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.69
PIK3CG P48736 17/20 0.69
MTOR P42345 16/20 0.69
HRH3 Q9Y5N1 1/20 0.52
FLT3 P36888 2/20 0.51

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
SCHEMBL4440243 0.91 PIK3CA (0.70) PIK3CAPIK3CGMTORFLT3
SCHEMBL25237682 0.85 NT5E (0.52) PIK3CAPIK3CGMTORHRH3FLT3
SCHEMBL4439364 0.84 PIK3CA (0.73) PIK3CAPIK3CGMTOR
SCHEMBL7876340 0.83 PIK3CA (0.50) PIK3CAPIK3CGMTORFLT3
SCHEMBL4441900 0.82 PIK3CA (1.00) PIK3CAPIK3CGMTOR
SCHEMBL4448984 0.82 PIK3CA (1.00) PIK3CAPIK3CGMTOR
SCHEMBL4441655 0.82 PIK3CA (0.71) PIK3CAPIK3CGMTOR
SCHEMBL3426702 0.82 PIK3CA (0.69) PIK3CAPIK3CGMTORHRH3
SCHEMBL4447798 0.81 PIK3CA (0.87) PIK3CAPIK3CGMTOR
SCHEMBL2099733 0.81 CNR2 (0.66) PIK3CAPIK3CGMTORHRH3

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 5 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 disclosed
EP-2125715-A2 PROCESS FOR THE PREPARATION OF EZETIMIBE AND DERIVATIVES THEREOF KRKA (SI) 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
WO-2008089984-A2 PROCESS FOR THE PREPARATION OF EZETIMIBE AND DERIVATIVES THEREOF KRKA (SI) 2008-07-31 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-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.