SCHEMBL61780

SCHEMBL61780

COC(=O)N1CCC(n2ncc3c(N4CC5CCC(C4)O5)nc(C)nc32)CC1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.67
MTOR P42345 20/20 0.67
PIK3CB P42338 1/20 0.65
PIK3CG P48736 4/20 0.54
MAPK14 Q16539 1/20 0.54
CSNK1G1 Q9HCP0 1/20 0.54
RICTOR Q6R327 1/20 0.52
RPTOR Q8N122 1/20 0.52
MAPKAP1 Q9BPZ7 1/20 0.52
MLST8 Q9BVC4 1/20 0.52
ATR Q13535 2/20 0.51

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
SCHEMBL60905 0.91 PIK3CA (0.69) PIK3CAMTORPIK3CBPIK3CGMAPK14
SCHEMBL55648 0.89 PIK3CA (0.66) PIK3CAMTORPIK3CBPIK3CGMAPK14
SCHEMBL55455 0.84 PIK3CA (0.79) PIK3CAMTORPIK3CBPIK3CGMAPK14
SCHEMBL55701 0.83 PIK3CA (0.58) PIK3CAMTORPIK3CBPIK3CGMAPK14
SCHEMBL60917 0.82 PIK3CA (0.61) PIK3CAMTORPIK3CB
SCHEMBL54908 0.82 MTOR (0.85) PIK3CAMTORPIK3CBPIK3CGRICTOR
SCHEMBL61392 0.81 PIK3CA (0.61) PIK3CAMTORPIK3CB
SCHEMBL61796 0.81 PIK3CA (0.50) PIK3CAMTORPIK3CB
SCHEMBL55224 0.81 PIK3CA (1.00) PIK3CAMTORPIK3CBPIK3CGATR
SCHEMBL56285 0.81 PIK3CA (0.68) PIK3CAMTORPIK3CBPIK3CGMAPK14

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-8129371-B2 Thienopyrimidine and pyrazolopyrimidine compounds and their use as mTOR kinase and PI3 kinase inhibitors WYETH LLC (US) 2012-03-06 US disclosed
US-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-16 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-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PIK3CD PIK3CA 2/4885MTOR 1/4885PIK3CB 4/4885

“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.