SCHEMBL4055681

SCHEMBL4055681

Cn1ccc2c3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3ccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.59
PIK3CB P42338 4/20 0.59
PIK3CD O00329 4/20 0.58
PIK3CG P48736 2/20 0.58
MTOR P42345 3/20 0.53
PIK3C2A O00443 1/20 0.47
PLK4 O00444 1/20 0.47
PIK3R2 O00459 1/20 0.47
PIK3C2B O00750 1/20 0.47
GAK O14976 1/20 0.47
EPHB6 O15197 1/20 0.47
DAPK3 O43293 1/20 0.47
STK16 O75716 1/20 0.47
PIK3C2G O75747 1/20 0.47
NTRK1 P04629 1/20 0.47
NQO2 P16083 1/20 0.47
CSNK2A2 P19784 1/20 0.47
JAK1 P23458 1/20 0.47
PIK3R1 P27986 1/20 0.47
TYK2 P29597 1/20 0.47

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
SCHEMBL4049918 0.86 PIK3CA (0.56) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL4058625 0.83 PIK3CA (0.53) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL4053611 0.82 PIK3CA (0.64) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL1114296 0.78 PIK3CA (0.67) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL4055498 0.77 PIK3CA (0.50) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL4056512 0.77 PIK3CA (0.64) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL3130250 0.75 PIK3CA (0.67) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL13828835 0.75 PIK3CA (0.67) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL2153312 0.75 PIK3CA (0.66) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL4049973 0.75 PIK3CA (0.48) PIK3CAPIK3CBPIK3CDPIK3CGMTOR

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 19/4885PIK3CB 72/4885PIK3CD 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.