SCHEMBL4048892

SCHEMBL4048892

Cn1ccc2c3nc(-c4ccc(O)nc4)nc(N4CCOCC4)c3ccc21

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.49
PIK3CA P42336 18/20 0.46
PIK3R1 P27986 1/20 0.41
PIK3CG P48736 4/20 0.40
PIK3CD O00329 3/20 0.40
PIK3CB P42338 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4055498 0.90 PIK3CA (0.50) MTORPIK3CAPIK3R1PIK3CGPIK3CD
SCHEMBL4059885 0.88 PIK3CA (0.54) MTORPIK3CAPIK3R1PIK3CGPIK3CD
SCHEMBL4057772 0.86 HDAC1 (0.48) MTORPIK3CAPIK3R1PIK3CGPIK3CD
SCHEMBL4056512 0.86 PIK3CA (0.64) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL4049973 0.84 PIK3CA (0.48) MTORPIK3CAPIK3R1PIK3CGPIK3CD
SCHEMBL4050610 0.84 MTOR (0.57) MTORPIK3CAPIK3R1PIK3CGALDH1A1
SCHEMBL4053455 0.83 MTOR (0.52) MTORPIK3CAPIK3R1PIK3CGPIK3CD
SCHEMBL4059089 0.83 PIK3CA (0.50) MTORPIK3CAPIK3R1PIK3CGPIK3CD
SCHEMBL4049643 0.82 PIK3CA (0.58) MTORPIK3CAPIK3R1PIK3CGPIK3CD
SCHEMBL4051175 0.80 MTOR (0.56) MTORPIK3CAPIK3R1PIK3CGALDH1A1

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 19/4885PIK3R1 26/4885

“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.