SCHEMBL3754534

SCHEMBL3754534

CCc1c(C(=O)N2CCOc3ccc(-c4ccc(C(=O)NCCN5CCOCC5)cc4)cc3C2)ccc(S(C)(=O)=O)c1F

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 12/20 0.51
PRKDC P78527 1/20 0.51
PIK3CA P42336 4/20 0.49
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 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
SCHEMBL3754287 0.91 PRKDC (0.55) PRKDCPIK3CA
SCHEMBL3760677 0.91 PRKDC (0.54) PRKDCPIK3CA
SCHEMBL3749841 0.90 PRKDC (0.54) PRKDCPIK3CA
SCHEMBL3762757 0.90 PRKDC (0.56) PRKDCPIK3CA
SCHEMBL3749914 0.89 PRKDC (0.53) PRKDCPIK3CA
SCHEMBL3758119 0.89 PRKDC (0.52) PRKDCPIK3CA
SCHEMBL3754280 0.89 PRKDC (0.52) PRKDCPIK3CA
SCHEMBL3752577 0.88 PRKDC (0.52) PRKDCPIK3CAPOLB
SCHEMBL3752293 0.88 PRKDC (0.54) PRKDCPIK3CA
SCHEMBL3755712 0.88 PRKDC (0.57) PRKDCPIK3CA

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-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

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 CD274 3548/4885PRKDC 480/4885PIK3CA 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.