SCHEMBL4050772

SCHEMBL4050772

CN(C)CCn1ccc2c3nc(-c4cccc(OCc5ccccc5)c4)nc(N4CCOCC4)c3ccc21

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.57
MTOR P42345 8/20 0.43
PRKDC P78527 2/20 0.42
ATM Q13315 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PIK3CD O00329 1/20 0.40

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
SCHEMBL4111305 0.86 PIK3CA (0.42) PIK3CAMTORPRKDCATMALDH1A1
SCHEMBL4050346 0.86 PIK3CA (0.77) PIK3CAMTORPRKDCPIK3CD
SCHEMBL4051823 0.86 PIK3CA (0.76) PIK3CAMTORPRKDCPIK3CD
SCHEMBL4111312 0.82 PRKDC (0.42) PIK3CAMTORPRKDCATMALDH1A1
SCHEMBL4054951 0.81 MTOR (0.46) PIK3CAMTORPRKDCATMALDH1A1
SCHEMBL4049337 0.79 PIK3CA (0.56) PIK3CAMTORPRKDCPIK3CD
SCHEMBL4048379 0.79 PIK3CA (0.53) PIK3CAMTORPIK3CD
SCHEMBL4056094 0.78 PIK3CA (0.52) PIK3CAMTORPRKDCATMPIK3CD
SCHEMBL4048744 0.77 PIK3CA (0.56) PIK3CAMTORPRKDCPIK3CD
SCHEMBL4051403 0.77 MTOR (0.68) PIK3CAMTOR

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 1/4885PRKDC 540/4885

“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.