SCHEMBL4052479

SCHEMBL4052479

COCOc1cncc(-c2nc(N3CCOCC3)c3ccc4c(ccn4C)c3n2)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.41
PIK3CA P42336 14/20 0.40
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
HIF1A Q16665 1/20 0.38
CLK1 P49759 1/20 0.37
DYRK1A Q13627 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PIK3CG P48736 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
NOS1 P29475 1/20 0.35

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
SCHEMBL4053012 0.88 MTOR (0.57) MTORPIK3CAALDH1A1HPGDHIF1A
SCHEMBL4059089 0.83 PIK3CA (0.50) MTORPIK3CAALDH1A1CLK1HTT
SCHEMBL4049973 0.81 PIK3CA (0.48) MTORPIK3CAALDH1A1HPGDHIF1A
SCHEMBL4057772 0.79 HDAC1 (0.48) MTORPIK3CAALDH1A1HPGDHIF1A
SCHEMBL4056512 0.78 PIK3CA (0.64) MTORPIK3CAPIK3CG
SCHEMBL4055498 0.78 PIK3CA (0.50) MTORPIK3CAPIK3CG
SCHEMBL4059885 0.77 PIK3CA (0.54) MTORPIK3CAPIK3CG
SCHEMBL4048892 0.77 MTOR (0.49) MTORPIK3CAALDH1A1HTTSMN1; SMN2
SCHEMBL4053455 0.76 MTOR (0.52) MTORPIK3CAALDH1A1HTTPIK3CG
SCHEMBL4051175 0.75 MTOR (0.56) MTORPIK3CAALDH1A1SMN1; SMN2PIK3CG

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 19/4885ALDH1A1 4147/4885

“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.