SCHEMBL4460482

SCHEMBL4460482

CN(C)C1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)nc(N5C6CCC5COC6)n4)cc3)cc2)CC1

nearest known ligand 0.85

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.85
MTOR P42345 19/20 0.85
PIK3CG P48736 12/20 0.85
PIK3CB P42338 3/20 0.85
PIK3CD O00329 2/20 0.85
PIK3C2B O00750 1/20 0.85
PIK3C3 Q8NEB9 1/20 0.85
CYP2C8 P10632 1/20 0.70
PIK3R1 P27986 1/20 0.68

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
SCHEMBL1430208 0.98 PIK3CA (0.87) PIK3CAMTORPIK3CGPIK3CBPIK3CD
SCHEMBL1431313 0.97 PIK3CA (0.83) PIK3CAMTORPIK3CGPIK3CBPIK3CD
SCHEMBL4457772 0.96 PIK3CA (0.79) PIK3CAMTORPIK3CGPIK3CBPIK3CD
SCHEMBL4471314 0.96 PIK3CA (0.79) PIK3CAMTORPIK3CGPIK3CBPIK3CD
Gedatolisib SCHEMBL20765097 0.93 MTOR (1.00) PIK3CAMTORPIK3CGPIK3CBPIK3CD
Gedatolisib SCHEMBL32393 0.93 MTOR (1.00) PIK3CAMTORPIK3CGPIK3CBPIK3CD
SCHEMBL1431233 0.92 PIK3CA (0.82) PIK3CAMTORPIK3CGPIK3CBPIK3CD
SCHEMBL1430506 0.90 PIK3CA (0.84) PIK3CAMTORPIK3CGPIK3CBPIK3CD
SCHEMBL4467515 0.90 PIK3CA (0.77) PIK3CAMTORPIK3CGPIK3CBPIK3CD
SCHEMBL32727 0.90 MTOR (0.95) PIK3CAMTORPIK3CGPIK3CBPIK3CD

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
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
EP-3216793-B1 TRIAZINE COMPOUNDS AS P13 KINASE AND MTOR INHIBITORS WYETH LLC (US) 2019-03-27 EP disclosed
EP-3216793-A1 TRIAZINE COMPOUNDS AS P13 KINASE AND MTOR INHIBITORS Wyeth LLC (US) 2017-09-13 EP disclosed
EP-2294072-B1 TRIAZINE COMPOUNDS AS P13 KINASE AND MTOR INHIBITORS WYETH LLC (US) 2017-03-29 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

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.