SCHEMBL4052886

SCHEMBL4052886

Cn1ccc2c3nc(-c4cccc(C=O)c4)nc(N4CCOCC4)c3ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.46
PIK3CA P42336 15/20 0.44
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
PRKDC P78527 2/20 0.41
PIK3CD O00329 3/20 0.41
PIK3CG P48736 2/20 0.41
ATR Q13535 1/20 0.40
PIK3R1 P27986 2/20 0.40
HDAC1 Q13547 1/20 0.40
PIK3C2A O00443 1/20 0.39
PIK3C2B O00750 1/20 0.39
CHUK O15111 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
SCHEMBL4053156 0.85 PIK3CA (0.46) MTORPIK3CALMNACYP1A2CYP3A4
SCHEMBL4049643 0.85 PIK3CA (0.58) MTORPIK3CAPRKDCPIK3CDPIK3CG
SCHEMBL4052375 0.85 PIK3CA (0.54) MTORPIK3CALMNACYP1A2CYP3A4
SCHEMBL4059724 0.84 MTOR (0.49) MTORPIK3CAPIK3CDPIK3CGATR
SCHEMBL4368011 0.83 PIK3CA (0.53) MTORPIK3CAPIK3CDPIK3CGATR
SCHEMBL4056000 0.83 PIK3CA (0.53) MTORPIK3CALMNACYP1A2CYP3A4
SCHEMBL4054751 0.82 PIK3CA (0.46) MTORPIK3CALMNACYP1A2CYP3A4
SCHEMBL4058943 0.82 MTOR (0.53) MTORPIK3CALMNACYP1A2CYP3A4
SCHEMBL4054919 0.81 PIK3CA (0.43) MTORPIK3CAPRKDCPIK3CDPIK3CG
SCHEMBL4055636 0.81 PIK3CA (0.44) MTORPIK3CALMNACYP1A2CYP3A4

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 19/4885LMNA 3685/4885

“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.