Sugi Predict

Sugi Predict / Compounds / SCHEMBL4052483

SCHEMBL4052483

SCHEMBL4052483

CC(=O)NCc1cccc(-c2nc(N3CCOCC3)c3ccc4c(ccn4C)c3n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 14/20 0.51
▸ MTOR P42345 10/20 0.47
▸ PIK3CD O00329 3/20 0.47
▸ PIK3CG P48736 4/20 0.44
▸ PIK3R1 P27986 2/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ PIK3C2B O00750 3/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ PIK3CB P42338 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ PRKDC P78527 1/20 0.42
▸ PIK3C3 Q8NEB9 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42

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
SCHEMBL4368011 0.86 PIK3CA (0.53) PIK3CAMTORPIK3CDPIK3CGCARM1
SCHEMBL4059724 0.83 MTOR (0.49) PIK3CAMTORPIK3CDPIK3CGPIK3R1
SCHEMBL4049643 0.83 PIK3CA (0.58) PIK3CAMTORPIK3CDPIK3CGPIK3R1
SCHEMBL4058943 0.83 MTOR (0.53) PIK3CAMTORPIK3CDPIK3CGPIK3R1
SCHEMBL4060732 0.83 MTOR (0.53) PIK3CAMTORPIK3CDPIK3CGPIK3C2B
SCHEMBL4052529 0.82 MTOR (0.51) PIK3CAMTORPIK3CDPIK3CGPIK3R1
SCHEMBL4051817 0.82 MTOR (0.50) PIK3CAMTORPIK3CDPIK3CGPIK3R1
SCHEMBL4058887 0.81 MTOR (0.52) PIK3CAMTORPIK3CDPIK3CGPIK3R1
SCHEMBL4052375 0.81 PIK3CA (0.54) PIK3CAMTORPIK3CDPIK3CGLMNA
SCHEMBL4053156 0.81 PIK3CA (0.46) PIK3CAMTORPIK3CDPIK3CGPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009111547-A1 7H-PYRROLO[2,3-H]QUINAZOLINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESIS WYETH (US) 2009-09-11 — — WO claimed
US-20090227575-A1 7H-PYRROLO[2,3-H]QUINAZOLINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESIS WYETH (US) 2009-09-10 — — US claimed
WO-2009111547-A1 7H-PYRROLO[2,3-H]QUINAZOLINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESIS WYETH (US) 2009-09-11 — — WO disclosed
US-20090227575-A1 7H-PYRROLO[2,3-H]QUINAZOLINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESIS WYETH (US) 2009-09-10 — — 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-20090227575-A1 7H-PYRROLO[2,3-H]QUINAZOLINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESIS MTOR, RICTOR, RPS6KA3 PIK3CA 19/4885MTOR 1/4885PIK3CD 34/4885

“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.