SCHEMBL4055890

SCHEMBL4055890

CCn1ccc2c3nc(-c4ccc(NC(=O)Nc5ccc(C(=O)N(C)CCN(C)C)cc5)cc4)nc(N4CCOCC4)c3ccc21

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.71
PIK3CA P42336 19/20 0.71
PIK3CG P48736 6/20 0.63

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
SCHEMBL3122582 0.89 PIK3CA (0.86) MTORPIK3CAPIK3CG
SCHEMBL4054614 0.86 MTOR (0.62) MTORPIK3CAPIK3CG
SCHEMBL4050025 0.85 MTOR (0.72) MTORPIK3CAPIK3CG
SCHEMBL4051403 0.85 MTOR (0.68) MTORPIK3CAPIK3CG
SCHEMBL4051144 0.84 MTOR (0.79) MTORPIK3CAPIK3CG
SCHEMBL4053556 0.84 MTOR (0.79) MTORPIK3CA
SCHEMBL4059433 0.84 MTOR (0.78) MTORPIK3CAPIK3CG
SCHEMBL4241641 0.84 PIK3CA (0.69) MTORPIK3CAPIK3CG
SCHEMBL4057515 0.84 MTOR (0.80) MTORPIK3CAPIK3CG
SCHEMBL3130167 0.83 PIK3CA (1.00) MTORPIK3CAPIK3CG

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 19/4885PIK3CG 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.