Sugi Predict

Sugi Predict / Compounds / SCHEMBL4051817

SCHEMBL4051817

SCHEMBL4051817

CCCC(=O)Nc1cccc(-c2nc(N3CCOCC3)c3ccc4c(ccn4C)c3n2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 4/20 0.50
▸ HDAC1 Q13547 2/20 0.48
▸ PIK3C2B O00750 3/20 0.46
▸ PIK3CA P42336 9/20 0.46
▸ PIK3R1 P27986 2/20 0.46
▸ TSHR P16473 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ PIK3CD O00329 1/20 0.45
▸ PIK3CG P48736 1/20 0.45
▸ PIKFYVE Q9Y2I7 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ AKT1 P31749 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ PTPRA P18433 1/20 0.42
▸ TP53 P04637 1/20 0.41

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
SCHEMBL4052529 0.94 MTOR (0.51) MTORHDAC1PIK3C2BPIK3CAPIK3R1
SCHEMBL4058943 0.90 MTOR (0.53) MTORHDAC1PIK3C2BPIK3CAPIK3R1
SCHEMBL4058887 0.90 MTOR (0.52) MTORHDAC1PIK3C2BPIK3CAPIK3R1
SCHEMBL4060732 0.89 MTOR (0.53) MTORPIK3C2BPIK3CAPIK3CDPIK3CG
SCHEMBL4060746 0.87 MTOR (0.50) MTORHDAC1PIK3C2BPIK3CAPIK3R1
SCHEMBL4057201 0.86 MTOR (0.55) MTORPIK3CAPIK3CDPIK3CG
SCHEMBL4056486 0.85 MTOR (0.55) MTORPIK3CACYP1A2CYP3A4RECQL
SCHEMBL4059724 0.82 MTOR (0.49) MTORHDAC1PIK3CAPIK3R1PIK3CD
SCHEMBL4052483 0.82 PIK3CA (0.51) MTORHDAC1PIK3C2BPIK3CAPIK3R1
SCHEMBL4049643 0.81 PIK3CA (0.58) MTORHDAC1PIK3C2BPIK3CAPIK3R1

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 MTOR 1/4885HDAC1 589/4885PIK3C2B 20/4885

“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.