SCHEMBL4053156

SCHEMBL4053156

Cn1ccc2c3nc(-c4cccc(F)c4)nc(N4CCOCC4)c3ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.46
MTOR P42345 6/20 0.45
GRIA1 P42261 1/20 0.44
PIK3CD O00329 3/20 0.42
PIK3CG P48736 2/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
STK4 Q13043 1/20 0.41
STK3 Q13188 1/20 0.41
LRRK2 Q5S007 1/20 0.41
PIK3C2A O00443 1/20 0.41
PIK3C2B O00750 1/20 0.41

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
SCHEMBL4052375 0.88 PIK3CA (0.54) PIK3CAMTORPIK3CDPIK3CGLMNA
SCHEMBL4049643 0.88 PIK3CA (0.58) PIK3CAMTORPIK3CDPIK3CGPIK3C2A
SCHEMBL4052886 0.85 MTOR (0.46) PIK3CAMTORPIK3CDPIK3CGLMNA
SCHEMBL4056000 0.85 PIK3CA (0.53) PIK3CAMTORPIK3CGLMNACYP1A2
SCHEMBL4368011 0.85 PIK3CA (0.53) PIK3CAMTORPIK3CDPIK3CG
SCHEMBL4054751 0.85 PIK3CA (0.46) PIK3CAMTORPIK3CDPIK3CGLMNA
SCHEMBL4059724 0.85 MTOR (0.49) PIK3CAMTORPIK3CDPIK3CGSTK4
SCHEMBL4055636 0.83 PIK3CA (0.44) PIK3CAMTORPIK3CDPIK3CGLMNA
SCHEMBL4050246 0.82 PIK3CA (0.46) PIK3CAMTORPIK3CDPIK3CGPIK3C2A
SCHEMBL4058943 0.82 MTOR (0.53) PIK3CAMTORPIK3CDPIK3CGLMNA

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 1/4885GRIA1 1102/4885

“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.