SCHEMBL4996501

SCHEMBL4996501

CN(C(=O)O)c1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(CC(F)(F)F)CC4)c3n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.62
MTOR P42345 20/20 0.62
PIK3CG P48736 2/20 0.56
MAPK14 Q16539 1/20 0.56
CSNK1G1 Q9HCP0 1/20 0.56
ATR Q13535 1/20 0.56
AURKB Q96GD4 1/20 0.56

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
SCHEMBL4989691 0.89 PIK3CA (0.56) PIK3CAMTOR
SCHEMBL4993920 0.88 MTOR (0.61) PIK3CAMTORPIK3CGMAPK14CSNK1G1
SCHEMBL5000938 0.88 PIK3CA (0.62) PIK3CAMTORPIK3CGMAPK14CSNK1G1
SCHEMBL4994968 0.87 PIK3CA (0.70) PIK3CAMTOR
SCHEMBL4995062 0.87 PIK3CA (0.65) PIK3CAMTOR
SCHEMBL4996584 0.87 MTOR (0.74) PIK3CAMTORPIK3CGMAPK14CSNK1G1
SCHEMBL3987801 0.87 MTOR (0.69) PIK3CAMTORPIK3CG
SCHEMBL4996251 0.86 MTOR (0.71) PIK3CAMTORPIK3CGMAPK14CSNK1G1
SCHEMBL5001012 0.86 MTOR (0.74) PIK3CAMTORPIK3CGMAPK14CSNK1G1
SCHEMBL4998365 0.86 PIK3CA (0.70) PIK3CAMTOR

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 claimed

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 PIK3CA 2/4885MTOR 1/4885PIK3CG 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.