SCHEMBL4449028

SCHEMBL4449028

FC(F)(F)c1cccc(-c2nc(N3CCOCC3)c3nc[nH]c3n2)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
AR P10275 1/20 0.51
PIK3CA P42336 13/20 0.50
MTOR P42345 9/20 0.50
PIK3CG P48736 7/20 0.50
CNR2 P34972 1/20 0.50
RAF1 P04049 1/20 0.50
BRAF P15056 1/20 0.50
PIK3CD O00329 3/20 0.46
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.44
ATR Q13535 1/20 0.44
ATRIP Q8WXE1 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
SCHEMBL4442229 0.85 PIK3CA (0.53) PIK3CAMTORPIK3CGPIK3CDKDM4E
SCHEMBL4443377 0.84 PIK3CA (0.70) PIK3CAMTORPIK3CGRAF1BRAF
SCHEMBL4440268 0.84 PIK3CA (0.62) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL4449352 0.83 KDM4E (0.54) GAANPSR1PIK3CAMTORPIK3CG
SCHEMBL4442920 0.81 PIK3CA (0.50) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL4443717 0.81 PIK3CA (0.58) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL4442257 0.81 PIK3CA (0.71) PIK3CAMTORPIK3CGPIK3CDKDM4E
SCHEMBL4437743 0.80 PIK3CA (0.72) PIK3CAMTORPIK3CGRAF1BRAF
SCHEMBL4448951 0.80 MEN1 (0.63) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL4998903 0.78 PIK3CA (0.67) PIK3CAMTORPIK3CGPIK3CDKDM4E

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 3 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

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 GAA 510/4885NPSR1 4258/4885AR 3848/4885

“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.