SCHEMBL3760010

SCHEMBL3760010

Cc1c(C(=O)N2CCOc3ccc(-c4ccc(CO)nc4)cc3C2)ccc(S(C)(=O)=O)c1F

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.80
PIK3CA P42336 17/20 0.69
MTOR P42345 1/20 0.41
RIPK1 Q13546 1/20 0.40
GPR142 Q7Z601 1/20 0.39

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
SCHEMBL3761352 0.89 PRKDC (1.00) PRKDCPIK3CAMTOR
SCHEMBL29499913 0.89 PRKDC (1.00) PRKDCPIK3CAMTOR
SCHEMBL29376344 0.89 PRKDC (1.00) PRKDCPIK3CAMTOR
SCHEMBL3753636 0.88 PRKDC (0.86) PRKDCPIK3CAMTORRIPK1
SCHEMBL3756045 0.86 PRKDC (0.78) PRKDCPIK3CAMTORGPR142
SCHEMBL3760217 0.86 PRKDC (0.78) PRKDCPIK3CAMTORRIPK1GPR142
SCHEMBL3755239 0.86 PRKDC (0.74) PRKDCPIK3CAMTORRIPK1GPR142
SCHEMBL3750548 0.84 PRKDC (0.75) PRKDCPIK3CAMTOR
SCHEMBL3754318 0.84 PRKDC (0.74) PRKDCPIK3CA
SCHEMBL3752834 0.83 PIK3CA (0.73) PRKDCPIK3CAGPR142

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 16/4885MTOR 1/4885

“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.