SCHEMBL3756216

SCHEMBL3756216

CCc1c(C(=O)N2CCOc3ccc(-c4cnc5[nH]ccc5c4)cc3C2)ccc(S(C)(=O)=O)c1F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.60
PIK3CA P42336 13/20 0.58
CREBBP Q92793 2/20 0.46
ALOX5AP P20292 1/20 0.44
FEN1 P39748 1/20 0.44
MTOR P42345 1/20 0.43
FLT1 P17948 2/20 0.42
FLT4 P35916 2/20 0.42
PLK4 O00444 1/20 0.42
JAK2 O60674 1/20 0.42
MAP4K4 O95819 1/20 0.42
ROS1 P08922 1/20 0.42
FGFR1 P11362 1/20 0.42
MARK3 P27448 1/20 0.42
KDR P35968 1/20 0.42
FLT3 P36888 1/20 0.42
CLK2 P49760 1/20 0.42
CSNK1G2 P78368 1/20 0.42
MAP4K2 Q12851 1/20 0.42
ROCK1 Q13464 1/20 0.42

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
SCHEMBL3754364 0.91 PRKDC (0.60) PRKDCPIK3CACREBBPMTOR
SCHEMBL3750661 0.86 PRKDC (0.66) PRKDCPIK3CAMTOR
SCHEMBL3715225 0.86 PRKDC (0.70) PRKDCPIK3CAALOX5APFEN1MTOR
SCHEMBL3754613 0.85 PRKDC (0.67) PRKDCPIK3CAMTOR
SCHEMBL3758579 0.85 PRKDC (0.65) PRKDCPIK3CACREBBPMTOR
SCHEMBL3753883 0.85 PRKDC (0.81) PRKDCPIK3CAMTOR
SCHEMBL3754456 0.85 PRKDC (0.60) PRKDCPIK3CAALOX5APFEN1MTOR
SCHEMBL3754884 0.85 PIK3CA (0.60) PRKDCPIK3CACREBBP
SCHEMBL3749783 0.85 PRKDC (0.66) PRKDCPIK3CAMTOR
SCHEMBL3749705 0.85 PRKDC (0.58) PRKDCPIK3CACREBBP

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 16/4885CREBBP 1171/4885

“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.