SCHEMBL1430841

SCHEMBL1430841

FC(F)(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2C3CCC2COC3)n1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 13/20 0.78
PIK3CA P42336 9/20 0.54
PIK3CG P48736 7/20 0.54
PIK3CD O00329 6/20 0.54
MTOR P42345 5/20 0.54
PIK3R1 P27986 2/20 0.54
PIK3C2B O00750 1/20 0.54
CHEK1 O14757 1/20 0.47
ATR Q13535 1/20 0.47
PDCD1 Q15116 1/20 0.47
ATRIP Q8WXE1 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
RICTOR Q6R327 1/20 0.46
RPTOR Q8N122 1/20 0.46
MAPKAP1 Q9BPZ7 1/20 0.46
MLST8 Q9BVC4 1/20 0.46

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
SCHEMBL1431508 0.92 PIK3CB (0.61) PIK3CBPIK3CAPIK3CGPIK3CDMTOR
SCHEMBL1431026 0.85 PIK3CB (0.76) PIK3CBPIK3CAPIK3CGPIK3CDMTOR
SCHEMBL1430871 0.84 PIK3CB (0.77) PIK3CBPIK3CAPIK3CGPIK3CDMTOR
SCHEMBL1431275 0.84 PIK3CB (0.78) PIK3CBPIK3CAPIK3CGPIK3CDMTOR
SCHEMBL1431382 0.82 PIK3CB (0.79) PIK3CBPIK3CAPIK3CGPIK3CDMTOR
SCHEMBL1431750 0.81 PIK3CB (0.72) PIK3CBPIK3CAPIK3CGPIK3CDMTOR
SCHEMBL1431167 0.77 PIK3CB (0.76) PIK3CBPIK3CAPIK3CGPIK3CDMTOR
SCHEMBL1430389 0.76 PIK3CB (0.62) PIK3CBPIK3CAPIK3CGPIK3CDMTOR
SCHEMBL4306313 0.76 PIK3CB (0.67) PIK3CBPIK3CAPIK3CGPIK3CDMTOR
SCHEMBL1430937 0.75 PIK3CB (0.58) PIK3CBPIK3CAPIK3CGPIK3CDMTOR

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-2300483-A1 TRIAZINE COMPOUNDS AS P13 KINASE AND MTOR INHIBITORS Wyeth LLC (US) 2011-03-30 EP disclosed
US-20090304692-A1 Phosphatidylinositol 3 (PI3); Mammalian Target of Rapamycin, mTOR; triazine compounds substituted with either morpholino or tetrahydropyranyl rings on the triazine ring; anticancer agents, atherosclerosis, bone disorders, psoriasis, BPH, pancreatitis, kidney disease WYETH (US) 2009-12-10 US disclosed
WO-2009143317-A1 TRIAZINE COMPOUNDS AS P13 KINASE AND MTOR INHIBITORS WYETH (US) 2009-11-26 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-20090304692-A1 Phosphatidylinositol 3 (PI3); Mammalian Target of Rapamycin, mTOR; triazine compounds substituted with either morpholino or tetrahydropyranyl rings on the triazine ring; anticancer agents, atherosclerosis, bone disorders, psoriasis, BPH, pancreatitis, kidney disease MTOR, PIK3CA, PIK3R3 PIK3CB 20/4885PIK3CA 2/4885PIK3CG 18/4885

“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.