SCHEMBL4048744

SCHEMBL4048744

Oc1cccc(-c2nc(N3CCOCC3)c3ccc4c(ccn4Cc4ccccc4)c3n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.56
MTOR P42345 12/20 0.55
PIK3CG P48736 9/20 0.55
PIK3CD O00329 3/20 0.52
PIK3R1 P27986 2/20 0.51
HDAC1 Q13547 1/20 0.51
PIK3C2B O00750 3/20 0.49
PIK3CB P42338 3/20 0.49
PIK3C2A O00443 1/20 0.49
CHUK O15111 1/20 0.49
DAPK3 O43293 1/20 0.49
PIK3C2G O75747 1/20 0.49
RAF1 P04049 1/20 0.49
BRAF P15056 1/20 0.49
CSNK2A2 P19784 1/20 0.49
JAK1 P23458 1/20 0.49
TYK2 P29597 1/20 0.49
FLT3 P36888 1/20 0.49
CLK1 P49759 1/20 0.49
CLK2 P49760 1/20 0.49

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
SCHEMBL4051494 0.91 PIK3CA (0.59) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL4051823 0.84 PIK3CA (0.76) PIK3CAMTORPIK3CGPIK3CDPIK3R1
SCHEMBL4049643 0.83 PIK3CA (0.58) PIK3CAMTORPIK3CGPIK3CDPIK3R1
SCHEMBL4057700 0.81 HRH3 (0.58) PIK3CAPIK3CGPIK3CDPIK3CBFLT3
SCHEMBL4053416 0.81 MTOR (0.52) PIK3CAMTORPIK3CGPIK3CDPIK3R1
SCHEMBL4053032 0.79 MTOR (0.65) PIK3CAMTORPIK3CGPIK3CDPIK3R1
SCHEMBL1113809 0.78 PIK3CA (0.78) PIK3CAMTORPIK3CGPIK3CDPIK3R1
SCHEMBL4050346 0.78 PIK3CA (0.77) PIK3CAMTORPIK3CGPIK3CDPIK3R1
SCHEMBL4111305 0.77 PIK3CA (0.42) PIK3CAMTORPIK3CGPIK3CDPRKDC
SCHEMBL4050772 0.77 PIK3CA (0.57) PIK3CAMTORPIK3CDPRKDC

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 PIK3CA 19/4885MTOR 1/4885PIK3CG 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.