SCHEMBL3995331

SCHEMBL3995331

Cn1ccc2nc(-c3ccc(NC(=O)Nc4ccc(C(=O)N5CCC(N6CCCC6)CC5)cc4)cc3)nc(N3CCOCC3)c21

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTOR P42345 19/20 0.70
PIK3CA P42336 11/20 0.70
PIK3CG P48736 5/20 0.70
PIK3R1 P27986 1/20 0.55
PIK3CD O00329 1/20 0.54
PIK3C2B O00750 1/20 0.54
PIK3CB P42338 1/20 0.54
PIK3C3 Q8NEB9 1/20 0.54
EPHX2 P34913 1/20 0.53

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
SCHEMBL4241678 0.91 MTOR (0.58) MTORPIK3CAPIK3CGPIK3R1PIK3CD
SCHEMBL3998884 0.90 MTOR (0.67) MTORPIK3CAPIK3CGPIK3R1PIK3CD
SCHEMBL3991923 0.88 MTOR (0.71) MTORPIK3CAPIK3CGPIK3R1PIK3CD
SCHEMBL3995091 0.86 MTOR (0.67) MTORPIK3CAPIK3CGPIK3R1PIK3CD
SCHEMBL3998534 0.85 MTOR (0.59) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL3996957 0.85 MTOR (0.64) MTORPIK3CAPIK3CGPIK3R1PIK3CD
SCHEMBL4241687 0.84 MTOR (0.49) MTORPIK3CAPIK3CGPIK3CDPIK3C2B
SCHEMBL32299 0.82 PIK3CA (1.00) MTORPIK3CAPIK3CGPIK3R1PIK3CD
SCHEMBL32309 0.82 PIK3CA (1.00) MTORPIK3CAPIK3CGPIK3R1PIK3CD
SCHEMBL3130158 0.81 PIK3CA (0.78) 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-20090149458-A1 PYRROLO[3,2-d]PYRIMIDINE COMPOUNDS AND THEIR USE AS PI3 KINASE AND mTOR KINASE INHIBITORS WYETH (US) 2009-06-11 US claimed
WO-2009070524-A1 PYRROLO[3,2-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS PI3 KINASE AND MTOR KINASE INHIBITORS WYETH (US) 2009-06-04 WO claimed
US-20090149458-A1 PYRROLO[3,2-d]PYRIMIDINE COMPOUNDS AND THEIR USE AS PI3 KINASE AND mTOR KINASE INHIBITORS WYETH (US) 2009-06-11 US disclosed
WO-2009070524-A1 PYRROLO[3,2-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS PI3 KINASE AND MTOR KINASE INHIBITORS WYETH (US) 2009-06-04 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-20090149458-A1 PYRROLO[3,2-d]PYRIMIDINE COMPOUNDS AND THEIR USE AS PI3 KINASE AND mTOR KINASE INHIBITORS MTOR, PIK3CA, PIK3CD MTOR 1/4885PIK3CA 2/4885PIK3CG 7/4885

“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.