SCHEMBL4463250

SCHEMBL4463250

CN1CCN(c2ccc(NC(=O)Nc3ccc(-c4nc(N5CC6CCC(C5)O6)nc(N5[C@H](CO)CC[C@@H]5CO)n4)cc3)cn2)CC1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTOR P42345 12/20 0.62
PIK3CA P42336 10/20 0.62
PIK3R1 P27986 1/20 0.51
PIK3CG P48736 1/20 0.49
PIK3CD O00329 1/20 0.48

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
SCHEMBL1431872 0.90 PIK3CA (0.65) MTORPIK3CAPIK3R1PIK3CG
SCHEMBL1409823 0.90 MTOR (0.75) MTORPIK3CAPIK3R1PIK3CGPIK3CD
SCHEMBL4467555 0.87 PIK3CA (0.81) MTORPIK3CAPIK3CG
SCHEMBL4469617 0.87 PIK3CA (0.62) MTORPIK3CAPIK3R1PIK3CGPIK3CD
SCHEMBL1408627 0.84 MTOR (0.61) MTORPIK3CAPIK3R1PIK3CD
SCHEMBL1409799 0.83 MTOR (0.57) MTORPIK3CAPIK3R1PIK3CGPIK3CD
SCHEMBL4454539 0.82 MTOR (0.64) MTORPIK3CAPIK3R1PIK3CG
SCHEMBL4470935 0.81 MTOR (0.63) MTORPIK3CAPIK3CG
SCHEMBL4464300 0.81 MTOR (0.67) MTORPIK3CAPIK3CG
SCHEMBL4456907 0.81 MTOR (0.54) MTORPIK3CAPIK3CGPIK3CD

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 MTOR 1/4885PIK3CA 2/4885PIK3R1 6/4885

“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.