SCHEMBL4058887

SCHEMBL4058887

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTOR P42345 13/20 0.52
PIK3CA P42336 10/20 0.46
PIK3CD O00329 2/20 0.46
PIK3CG P48736 1/20 0.46
PIK3C2B O00750 3/20 0.45
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
RECQL P46063 1/20 0.43
PIK3R1 P27986 1/20 0.43
HDAC1 Q13547 1/20 0.43

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
SCHEMBL4060732 0.94 MTOR (0.53) MTORPIK3CAPIK3CDPIK3CGPIK3C2B
SCHEMBL4058514 0.90 MTOR (0.63) MTORPIK3CAPIK3CDPIK3CG
SCHEMBL4051817 0.90 MTOR (0.50) MTORPIK3CAPIK3CDPIK3CGPIK3C2B
SCHEMBL4052529 0.89 MTOR (0.51) MTORPIK3CAPIK3CDPIK3CGPIK3C2B
SCHEMBL4058943 0.88 MTOR (0.53) MTORPIK3CAPIK3CDPIK3CGPIK3C2B
SCHEMBL4057201 0.87 MTOR (0.55) MTORPIK3CAPIK3CDPIK3CG
SCHEMBL4056486 0.86 MTOR (0.55) MTORPIK3CAPIK3CDPIK3CGCYP1A2
SCHEMBL4060746 0.85 MTOR (0.50) MTORPIK3CAPIK3CDPIK3CGPIK3C2B
SCHEMBL4052854 0.84 MTOR (0.65) MTORPIK3CAPIK3CDPIK3CG
SCHEMBL4049509 0.83 MTOR (0.62) MTORPIK3CAPIK3CG

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 19/4885PIK3CD 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.