SCHEMBL4528663

SCHEMBL4528663

O=C(NCCc1ccccc1)c1ccc(Cn2nnc3c(N4CCOCC4)nc(-c4cccc(O)c4)nc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.53
MTOR P42345 13/20 0.53
PIK3CG P48736 11/20 0.53
HDAC6 Q9UBN7 1/20 0.48
ALDH1A1 P00352 1/20 0.47
ADORA3 P0DMS8 2/20 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
SCHEMBL3432194 0.92 PIK3CA (0.52) PIK3CAMTORPIK3CGHDAC6ALDH1A1
SCHEMBL3429423 0.90 PIK3CA (0.54) PIK3CAMTORPIK3CGHDAC6
SCHEMBL4541812 0.89 PIK3CA (0.63) PIK3CAMTORPIK3CGHDAC6
SCHEMBL4538297 0.89 PIK3CA (0.57) PIK3CAMTORPIK3CGHDAC6
SCHEMBL3431556 0.89 PIK3CA (0.64) PIK3CAMTORPIK3CGHDAC6
SCHEMBL3429659 0.88 PIK3CA (0.48) PIK3CAMTORPIK3CGHDAC6
SCHEMBL3431984 0.88 PIK3CA (0.48) PIK3CAMTORPIK3CGHDAC6
SCHEMBL4535722 0.88 PIK3CA (0.53) PIK3CAMTORPIK3CGHDAC6
SCHEMBL3407107 0.88 PIK3CA (0.65) PIK3CAMTORPIK3CGHDAC6
SCHEMBL3428751 0.88 PIK3CA (0.48) PIK3CAMTORPIK3CGHDAC6ALDH1A1

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-20090181963-A1 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-16 US claimed
US-20090181963-A1 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-16 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-20090181963-A1 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PIK3CA, PIK3CD PIK3CA 2/4885MTOR 1/4885PIK3CG 4/4885

“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.