SCHEMBL1650801

SCHEMBL1650801

CC(=O)Nc1nc2cnc(-c3cnc(N)c(C(F)(F)F)c3)nc2s1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.66
CYP3A4 P08684 2/20 0.66
PIK3CG P48736 4/20 0.48
PIK3CD O00329 3/20 0.48
PIK3CB P42338 3/20 0.48
PIK3C3 Q8NEB9 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
DYRK1A Q13627 2/20 0.42
CLK1 P49759 1/20 0.40

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
SCHEMBL1556847 0.80 PIK3CA (0.47) PIK3CACYP3A4PIK3CGPIK3CBDYRK1A
SCHEMBL3146231 0.79 PIK3CA (1.00) PIK3CACYP3A4PIK3CGPIK3CDPIK3CB
SCHEMBL3146053 0.78 PIK3CA (0.70) PIK3CACYP3A4PIK3CGPIK3CDPIK3CB
SCHEMBL1650380 0.78 PIK3CA (0.63) PIK3CACYP3A4PIK3CGPI4KBDYRK1A
SCHEMBL3131463 0.78 PIK3CA (0.72) PIK3CACYP3A4PIK3CGPIK3CDPIK3CB
SCHEMBL3131497 0.78 PIK3CA (0.72) PIK3CACYP3A4PIK3CGPIK3CDPIK3CB
SCHEMBL3142152 0.78 PIK3CA (0.72) PIK3CACYP3A4PIK3CGPIK3CDPIK3CB
SCHEMBL3150659 0.74 PIK3CA (0.70) PIK3CACYP3A4PIK3CGPIK3CDPIK3CB
SCHEMBL1649960 0.71 PIK3CA (0.66) PIK3CAPIK3CGPIK3CDPIK3CBPIK3C3
SCHEMBL7994975 0.71 PIK3CA (0.45) PIK3CAPIK3CGPIK3CDPIK3CBPIK3C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178070-A1 PI3K/mTOR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-21 US claimed
EP-2311842-A2 PI3K/M TOR inhibitors Takeda Pharmaceutical Company Limited (JP) 2011-04-20 EP claimed
US-20110178070-A1 PI3K/mTOR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-21 US disclosed
US-20110178070-A1 PI3K/mTOR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-21 US disclosed
US-20110178070-A1 PI3K/mTOR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-21 US disclosed
EP-2311842-A2 PI3K/M TOR inhibitors Takeda Pharmaceutical Company Limited (JP) 2011-04-20 EP disclosed
WO-2010008847-A2 PI3K/M TOR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 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-20110178070-A1 PI3K/mTOR INHIBITORS MTOR, RICTOR, PIK3CA PIK3CA 3/4885CYP3A4 1083/4885PIK3CG 8/4885

“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.