SCHEMBL4993573

SCHEMBL4993573

CC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCCCO4)c3n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.66
PIK3CA P42336 19/20 0.66
PIK3CG P48736 5/20 0.60
RICTOR Q6R327 1/20 0.60
RPTOR Q8N122 1/20 0.60
MAPKAP1 Q9BPZ7 1/20 0.60
MLST8 Q9BVC4 1/20 0.60
ATR Q13535 4/20 0.59

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
SCHEMBL4996765 0.92 MTOR (0.61) MTORPIK3CAPIK3CGRICTORRPTOR
SCHEMBL3985713 0.91 MTOR (0.75) MTORPIK3CAPIK3CGRICTORRPTOR
SCHEMBL3989286 0.88 MTOR (0.60) MTORPIK3CAPIK3CGRICTORRPTOR
SCHEMBL56646 0.88 PIK3CA (0.64) MTORPIK3CA
SCHEMBL4988909 0.85 MTOR (0.64) MTORPIK3CAPIK3CGRICTORRPTOR
SCHEMBL3985335 0.84 MTOR (0.55) MTORPIK3CAPIK3CGRICTORRPTOR
SCHEMBL3994366 0.84 MTOR (0.55) MTORPIK3CAPIK3CGRICTORRPTOR
SCHEMBL4996132 0.84 MTOR (0.58) MTORPIK3CAPIK3CGRICTORRPTOR
SCHEMBL3989427 0.83 MTOR (0.52) MTORPIK3CAPIK3CGRICTORRPTOR
SCHEMBL3989287 0.82 MTOR (0.52) MTORPIK3CAPIK3CGRICTORRPTOR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 US claimed
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 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-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PDPK1 MTOR 1/4885PIK3CA 2/4885PIK3CG 16/4885

“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.