SCHEMBL1556786

SCHEMBL1556786

CC(=O)Nc1nc2cnc(-c3cnc(Cl)c(NS(=O)(=O)c4ccccc4)c3)nc2s1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 12/20 0.71
PIK3CA P42336 8/20 0.71
PIK3CD O00329 8/20 0.69
PIK3CG P48736 8/20 0.69
PIK3CB P42338 7/20 0.69
MTOR P42345 7/20 0.60
PIK3C3 Q8NEB9 2/20 0.59
PRKDC P78527 1/20 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
SCHEMBL1650979 0.88 AKT1 (0.73) AKT1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL1649960 0.87 PIK3CA (0.66) AKT1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL7998274 0.83 AKT1 (0.49) AKT1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL1651033 0.83 PIK3CA (0.53) AKT1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL1619927 0.83 AKT1 (1.00) AKT1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL7991464 0.82 AKT1 (0.48) AKT1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL924973 0.81 PIK3CB (1.00) AKT1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL4509793 0.79 PIK3CD (0.77) AKT1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL4524145 0.78 PIK3CD (0.76) AKT1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL1556847 0.78 PIK3CA (0.47) AKT1PIK3CAPIK3CGPIK3CBMTOR

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 9 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
EP-2303886-A2 PI3K/M TOR INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-04-06 EP disclosed
WO-2010008847-A2 PI3K/M TOR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 WO 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 AKT1 20/4885PIK3CA 3/4885PIK3CD 5/4885

“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.