SCHEMBL4990174

SCHEMBL4990174

O=C(Nc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(CC(F)(F)F)CC4)c3n2)cc1)OCCO

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.77
PIK3CA P42336 19/20 0.77
PIK3CG P48736 1/20 0.63
RICTOR Q6R327 1/20 0.63
RPTOR Q8N122 1/20 0.63
MAPKAP1 Q9BPZ7 1/20 0.63
MLST8 Q9BVC4 1/20 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
SCHEMBL3987801 0.89 MTOR (0.69) MTORPIK3CAPIK3CGRICTORRPTOR
SCHEMBL3986510 0.88 PIK3CA (0.78) MTORPIK3CAPIK3CG
SCHEMBL4992647 0.87 MTOR (0.80) MTORPIK3CAPIK3CGRICTORRPTOR
SCHEMBL3993097 0.87 MTOR (1.00) MTORPIK3CAPIK3CGRICTORRPTOR
SCHEMBL3991173 0.87 PIK3CA (0.79) MTORPIK3CAPIK3CG
SCHEMBL3987413 0.87 PIK3CA (0.80) MTORPIK3CA
SCHEMBL3984692 0.86 PIK3CA (0.77) MTORPIK3CAPIK3CG
SCHEMBL3991270 0.86 PIK3CA (0.73) MTORPIK3CA
SCHEMBL5000783 0.85 PIK3CA (1.00) MTORPIK3CA
SCHEMBL4989044 0.85 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 1 patent. 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 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.