SCHEMBL4459317

SCHEMBL4459317

CC(C)N1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(N5CC6CCC(C5)O6)nc(N5[C@H](CO)CC[C@@H]5CO)n4)cc3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.57
MTOR P42345 13/20 0.57
PIK3CG P48736 6/20 0.55
PIK3R1 P27986 1/20 0.50
PIK3CD O00329 1/20 0.49
PIK3C2B O00750 1/20 0.49
PIK3CB P42338 1/20 0.49
PIK3C3 Q8NEB9 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
SCHEMBL4469617 0.91 PIK3CA (0.62) PIK3CAMTORPIK3CGPIK3R1PIK3CD
SCHEMBL4470935 0.91 MTOR (0.63) PIK3CAMTORPIK3CG
SCHEMBL4471251 0.90 MTOR (0.52) PIK3CAMTORPIK3CGPIK3R1PIK3CD
SCHEMBL1432301 0.90 PIK3CA (0.63) PIK3CAMTORPIK3CGPIK3R1PIK3CD
SCHEMBL4463601 0.89 MTOR (0.57) PIK3CAMTORPIK3CGPIK3R1PIK3CD
SCHEMBL4462075 0.88 MTOR (0.66) PIK3CAMTORPIK3CGPIK3R1PIK3CD
SCHEMBL4457356 0.88 MTOR (0.49) PIK3CAMTORPIK3CGPIK3R1PIK3CD
SCHEMBL4456820 0.86 PIK3CA (0.75) PIK3CAMTORPIK3CG
SCHEMBL32956 0.83 PIK3CA (0.81) PIK3CAMTORPIK3CG
SCHEMBL1431263 0.83 PIK3CA (0.76) PIK3CAMTORPIK3CGPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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

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 PIK3CA 2/4885MTOR 1/4885PIK3CG 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.