SCHEMBL3119640

SCHEMBL3119640

CCn1ccc2c(N3CCOCC3)nc(-c3ccc(NC(=O)Nc4ccc(C(=O)N5CCC(N(C)C)CC5)cc4)cc3)nc21

nearest known ligand 0.88

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.88
PIK3CA P42336 19/20 0.88
PIK3CD O00329 1/20 0.69
PIK3C2B O00750 1/20 0.69
PIK3CB P42338 1/20 0.69
PIK3CG P48736 1/20 0.69
PIK3C3 Q8NEB9 1/20 0.69

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
SCHEMBL3133515 0.95 MTOR (0.80) MTORPIK3CAPIK3CDPIK3C2BPIK3CB
SCHEMBL3130219 0.93 MTOR (1.00) MTORPIK3CAPIK3CDPIK3C2BPIK3CB
SCHEMBL3135078 0.91 MTOR (0.90) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3134262 0.90 PIK3CA (0.80) MTORPIK3CAPIK3CG
SCHEMBL4050025 0.90 MTOR (0.72) MTORPIK3CAPIK3CDPIK3C2BPIK3CB
SCHEMBL3133378 0.90 PIK3CA (0.85) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3131174 0.89 MTOR (0.92) MTORPIK3CAPIK3CDPIK3C2BPIK3CB
SCHEMBL3130243 0.89 MTOR (0.75) MTORPIK3CAPIK3CDPIK3C2BPIK3CB
SCHEMBL3121786 0.89 PIK3CA (0.74) MTORPIK3CAPIK3CDPIK3C2BPIK3CB
SCHEMBL3998264 0.89 MTOR (0.70) MTORPIK3CAPIK3CDPIK3C2BPIK3CB

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
US-20100003250-A1 (2-ARYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)MORPHOLINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-01-07 US claimed
WO-2010002954-A1 (2-ARYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)MORPHOLINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-01-07 WO claimed
US-20100003250-A1 (2-ARYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)MORPHOLINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-01-07 US disclosed
WO-2010002954-A1 (2-ARYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)MORPHOLINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-01-07 WO 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-20100003250-A1 (2-ARYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)MORPHOLINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, MAPKAP1 MTOR 1/4885PIK3CA 4/4885PIK3CD 6/4885

“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.