SCHEMBL3754528

SCHEMBL3754528

CCc1c(C(=O)N2CCOc3ccc(-c4cnc(NC(C)=O)s4)cc3C2)ccc(S(C)(=O)=O)c1F

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.57
PIK3CA P42336 14/20 0.52
PIK3CG P48736 2/20 0.42
RIPK1 Q13546 1/20 0.38
OGA O60502 1/20 0.36
GPR142 Q7Z601 1/20 0.36

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
SCHEMBL7869191 0.94 PRKDC (0.56) PRKDCPIK3CAPIK3CGRIPK1GPR142
SCHEMBL3752585 0.92 PRKDC (0.57) PRKDCPIK3CAPIK3CGRIPK1GPR142
SCHEMBL3756049 0.92 PRKDC (0.56) PRKDCPIK3CAPIK3CGRIPK1
SCHEMBL3755747 0.92 PRKDC (0.56) PRKDCPIK3CAPIK3CGRIPK1
SCHEMBL3750502 0.92 PRKDC (0.55) PRKDCPIK3CAPIK3CGRIPK1GPR142
SCHEMBL3747626 0.91 PRKDC (0.54) PRKDCPIK3CAPIK3CGRIPK1GPR142
SCHEMBL3755143 0.91 PRKDC (0.54) PRKDCPIK3CAPIK3CGRIPK1GPR142
SCHEMBL3754870 0.91 PRKDC (0.56) PRKDCPIK3CAPIK3CGRIPK1GPR142
SCHEMBL3751119 0.91 PRKDC (0.53) PRKDCPIK3CAPIK3CGRIPK1GPR142
SCHEMBL3760514 0.90 PRKDC (0.54) PRKDCPIK3CAPIK3CGRIPK1GPR142

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 480/4885PIK3CA 16/4885PIK3CG 47/4885

“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.