Sugi Predict

Sugi Predict / Compounds / SCHEMBL4060746

SCHEMBL4060746

SCHEMBL4060746

Cn1ccc2c3nc(-c4cccc(NC(=O)C5CC5)c4)nc(N4CCOCC4)c3ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 4/20 0.50
▸ PIK3C2B O00750 3/20 0.46
▸ PIK3CA P42336 8/20 0.46
▸ LMNA P02545 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ GBA1 P04062 3/20 0.44
▸ PIK3CG P48736 2/20 0.43
▸ PIK3CD O00329 1/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ PIKFYVE Q9Y2I7 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ SHMT2 P34897 1/20 0.41
▸ PIK3R1 P27986 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
SCHEMBL4058943 0.90 MTOR (0.53) MTORPIK3C2BPIK3CALMNACYP1A2
SCHEMBL4052529 0.89 MTOR (0.51) MTORPIK3C2BPIK3CALMNACYP1A2
SCHEMBL4051817 0.87 MTOR (0.50) MTORPIK3C2BPIK3CALMNACYP1A2
SCHEMBL4057201 0.86 MTOR (0.55) MTORPIK3CAPIK3CGPIK3CD
SCHEMBL4060732 0.86 MTOR (0.53) MTORPIK3C2BPIK3CAPIK3CGPIK3CD
SCHEMBL4056486 0.85 MTOR (0.55) MTORPIK3CACYP1A2CYP3A4RECQL
SCHEMBL4058887 0.85 MTOR (0.52) MTORPIK3C2BPIK3CALMNACYP1A2
SCHEMBL4059724 0.82 MTOR (0.49) MTORPIK3CAPIK3CGPIK3CDHDAC1
SCHEMBL4049643 0.81 PIK3CA (0.58) MTORPIK3C2BPIK3CAPIK3CGPIK3CD
SCHEMBL4060767 0.81 MTOR (0.61) MTORPIK3CAPIK3CGPIK3CDALDH1A1

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 1/4885PIK3C2B 20/4885PIK3CA 19/4885

“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.