Sugi Predict

Sugi Predict / Compounds / SCHEMBL4056974

SCHEMBL4056974

SCHEMBL4056974

Cn1ccc2c3nc(-c4cc(O)ccc4Cl)nc(N4CCOCC4)c3ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 6/20 0.42
▸ PIK3CA P42336 13/20 0.42
▸ ATR Q13535 1/20 0.39
▸ PIK3CD O00329 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ CASP7 P55210 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PIK3CG P48736 4/20 0.37
▸ CLK4 Q9HAZ1 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL4049643 0.82 PIK3CA (0.58) MTORPIK3CAPIK3CDPIK3CGCLK4
SCHEMBL4055498 0.80 PIK3CA (0.50) MTORPIK3CAPIK3CDPIK3CGPIK3R1
SCHEMBL4059089 0.80 PIK3CA (0.50) MTORPIK3CAPIK3CDALDH1A1PIK3CG
SCHEMBL4057900 0.79 SMN1; SMN2 (0.45) MTORATRALDH1A1ALOX15GAA
SCHEMBL4048892 0.77 MTOR (0.49) MTORPIK3CAPIK3CDALDH1A1PIK3CG
SCHEMBL4056512 0.76 PIK3CA (0.64) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL4050610 0.76 MTOR (0.57) MTORPIK3CAALDH1A1ALOX15HSD17B10
SCHEMBL4053455 0.76 MTOR (0.52) MTORPIK3CAATRPIK3CDALDH1A1
SCHEMBL13694793 0.76 LMNA (0.48) MTORATRALDH1A1ALOX15TSHR
SCHEMBL4053156 0.74 PIK3CA (0.46) MTORPIK3CAPIK3CDALDH1A1TSHR

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 1/4885PIK3CA 19/4885ATR 538/4885

“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.