SCHEMBL4056486

SCHEMBL4056486

Cn1ccc2c3nc(-c4cccc(NC(=O)Nc5cccnc5)c4)nc(N4CCOCC4)c3ccc21

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 17/20 0.55
PIK3CA P42336 10/20 0.55
PIK3CG P48736 7/20 0.54
PIK3CD O00329 2/20 0.53
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTR2B P41595 1/20 0.51
RECQL P46063 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HTR2C P28335 1/20 0.50

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
SCHEMBL4057201 0.92 MTOR (0.55) MTORPIK3CAPIK3CGPIK3CD
SCHEMBL4058943 0.88 MTOR (0.53) MTORPIK3CAPIK3CGPIK3CDCYP1A2
SCHEMBL4060732 0.87 MTOR (0.53) MTORPIK3CAPIK3CGPIK3CD
SCHEMBL4058887 0.86 MTOR (0.52) MTORPIK3CAPIK3CGPIK3CDCYP1A2
SCHEMBL4052529 0.85 MTOR (0.51) MTORPIK3CAPIK3CGPIK3CDCYP1A2
SCHEMBL4060746 0.85 MTOR (0.50) MTORPIK3CAPIK3CGPIK3CDKDM4E
SCHEMBL4051817 0.85 MTOR (0.50) MTORPIK3CAPIK3CGPIK3CDTP53
SCHEMBL4060767 0.84 MTOR (0.61) MTORPIK3CAPIK3CGPIK3CDTP53
SCHEMBL4059830 0.83 MTOR (0.67) MTORPIK3CAPIK3CG
SCHEMBL4053025 0.83 MTOR (0.60) MTORPIK3CAPIK3CGPIK3CDMAPT

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 19/4885PIK3CG 30/4885

“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.