Sugi Predict

Sugi Predict / Compounds / SCHEMBL4026081

SCHEMBL4026081

SCHEMBL4026081

O=C(O)N1CCC(n2cnc3c(C4=CCOCC4)nc(-c4cccc(CO)c4)nc32)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 20/20 0.59
▸ PIK3CG P48736 19/20 0.59
▸ MTOR P42345 19/20 0.59
▸ PIK3CD O00329 1/20 0.39
▸ PIK3C2B O00750 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ PIK3R1 P27986 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ PRKDC P78527 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ PIK3C3 Q8NEB9 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL4182834 0.89 PIK3CA (0.69) PIK3CAPIK3CGMTOR
SCHEMBL4180283 0.89 PIK3CA (0.56) PIK3CAPIK3CGMTOR
SCHEMBL4166418 0.87 PIK3CA (0.66) PIK3CAPIK3CGMTORPIK3CD
SCHEMBL4025453 0.84 PIK3CA (0.71) PIK3CAPIK3CGMTOR
SCHEMBL4017831 0.84 PIK3CA (0.61) PIK3CAPIK3CGMTOR
SCHEMBL4166455 0.83 PIK3CA (0.59) PIK3CAPIK3CGMTOR
SCHEMBL4022720 0.83 PIK3CA (0.60) PIK3CAPIK3CGMTOR
SCHEMBL4020168 0.81 PIK3CA (0.69) PIK3CAPIK3CGMTORPIK3CD
SCHEMBL4185149 0.79 PIK3CA (0.53) PIK3CAPIK3CGMTORPIK3CD
SCHEMBL4021708 0.78 PIK3CA (0.48) PIK3CAPIK3CGMTORPIK3CDPIK3C2B

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
WO-2009097490-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-08-06 — — WO claimed
WO-2009097490-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-08-06 — — WO disclosed
US-20090192176-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-30 — — 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-20090192176-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PIK3CA, PIK3CD PIK3CA 2/4885PIK3CG 4/4885MTOR 1/4885

“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.