SCHEMBL7994975

SCHEMBL7994975

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.45
PIK3CB P42338 3/20 0.45
AKT1 P31749 10/20 0.41
SMO Q99835 2/20 0.41
MTOR P42345 6/20 0.41
PIK3CD O00329 2/20 0.40
PIK3CG P48736 2/20 0.40
PRKDC P78527 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.40
RIPK1 Q13546 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
SCHEMBL7998274 0.87 AKT1 (0.49) PIK3CAPIK3CBAKT1SMOMTOR
SCHEMBL1649960 0.83 PIK3CA (0.66) PIK3CAPIK3CBAKT1SMOMTOR
SCHEMBL7991464 0.82 AKT1 (0.48) PIK3CAPIK3CBAKT1SMOMTOR
SCHEMBL1556847 0.81 PIK3CA (0.47) PIK3CAPIK3CBAKT1SMOMTOR
SCHEMBL925975 0.80 PIK3CA (0.69) PIK3CAPIK3CBPIK3CDPIK3CGPRKDC
SCHEMBL1651033 0.79 PIK3CA (0.53) PIK3CAPIK3CBAKT1SMOMTOR
SCHEMBL1556786 0.77 AKT1 (0.71) PIK3CAPIK3CBAKT1MTORPIK3CD
SCHEMBL12515117 0.73 PIK3C3 (0.47) PIK3CAPIK3CBAKT1SMOMTOR
SCHEMBL1650380 0.71 PIK3CA (0.63) PIK3CAPIK3CG
SCHEMBL1650801 0.71 PIK3CA (0.66) PIK3CAPIK3CBPIK3CDPIK3CGPIK3C3

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 3 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 disclosed
US-20110178070-A1 PI3K/mTOR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-21 US 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 3/4885PIK3CB 12/4885AKT1 20/4885

“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.