SCHEMBL3131340

SCHEMBL3131340

CN(C)CCNC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4ccn(CC(F)(F)F)c4n3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 1.00
PIK3CA P42336 19/20 1.00
PIK3CG P48736 4/20 0.64

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
SCHEMBL3124822 0.94 PIK3CA (0.89) MTORPIK3CA
SCHEMBL3132713 0.93 MTOR (1.00) MTORPIK3CAPIK3CG
SCHEMBL29468179 0.89 PIK3CA (1.00) MTORPIK3CAPIK3CG
SCHEMBL3130167 0.89 PIK3CA (1.00) MTORPIK3CAPIK3CG
SCHEMBL3130255 0.88 MTOR (0.91) MTORPIK3CAPIK3CG
SCHEMBL3133407 0.88 PIK3CA (0.78) MTORPIK3CAPIK3CG
SCHEMBL3132298 0.87 MTOR (0.78) MTORPIK3CA
SCHEMBL3130338 0.87 PIK3CA (0.88) MTORPIK3CAPIK3CG
SCHEMBL3480028 0.87 PIK3CA (0.85) MTORPIK3CA
SCHEMBL3128548 0.86 MTOR (0.79) 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
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 4/4885PIK3CG 8/4885

“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.