SCHEMBL3754705

SCHEMBL3754705

CCc1c(C(=O)N2CCOc3ccc(-c4sc(NC(C)=O)nc4C)cc3C2)ccc(S(C)(=O)=O)c1F

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.53
PIK3CG P48736 15/20 0.51
PIK3CA P42336 14/20 0.51
PIK3CD O00329 12/20 0.51
PIK3CB P42338 8/20 0.51
PIK3C3 Q8NEB9 4/20 0.42
PIK3C2B O00750 2/20 0.42
PIK3C2G O75747 1/20 0.42
PIK3R1 P27986 1/20 0.42
KCNH2 Q12809 1/20 0.42
PI4KB Q9UBF8 2/20 0.40
PIK3C2A O00443 1/20 0.40
PI4KA P42356 1/20 0.40
CLK1 P49759 1/20 0.40
CLK2 P49760 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
SCHEMBL3758081 0.89 PRKDC (0.59) PRKDCPIK3CGPIK3CAPIK3CD
SCHEMBL3754528 0.87 PRKDC (0.57) PRKDCPIK3CGPIK3CA
SCHEMBL3757850 0.85 PRKDC (0.52) PRKDCPIK3CA
SCHEMBL3756362 0.84 PRKDC (0.57) PRKDCPIK3CA
SCHEMBL3749833 0.83 PRKDC (0.56) PRKDCPIK3CA
SCHEMBL3754238 0.83 PRKDC (0.56) PRKDCPIK3CA
SCHEMBL3755774 0.81 PIK3CA (0.54) PRKDCPIK3CA
SCHEMBL3754519 0.81 PRKDC (0.62) PRKDCPIK3CA
SCHEMBL3752813 0.81 PRKDC (0.53) PRKDCPIK3CA
SCHEMBL7869191 0.81 PRKDC (0.56) PRKDCPIK3CGPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
WO-2010118208-A1 BENZOXAZEPIN-4- (5H) -YL DERIVATIVES AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-10-14 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-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using MTOR, RICTOR, RPTOR PRKDC 480/4885PIK3CG 47/4885PIK3CA 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.