SCHEMBL3752935

SCHEMBL3752935

NS(=O)(=O)c1cc(C(=O)N2CCOc3ccc(-c4cnc5ccccc5c4)cc3C2)c(Cl)cc1F

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.63
MTOR P42345 1/20 0.60
PRKDC P78527 1/20 0.49
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
GPR142 Q7Z601 3/20 0.41

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
SCHEMBL3760577 0.87 PIK3CA (0.66) PIK3CAMTORPRKDCCA12CA1
SCHEMBL3750379 0.87 PIK3CA (0.71) PIK3CAMTORPRKDC
SCHEMBL3752595 0.85 PIK3CA (0.71) PIK3CAMTORPRKDC
SCHEMBL3754245 0.84 PIK3CA (0.67) PIK3CAMTORPRKDCGPR142
SCHEMBL3754725 0.82 PIK3CA (0.70) PIK3CAMTORPRKDC
SCHEMBL3752083 0.81 PIK3CA (0.80) PIK3CAMTORCA12CA1CA2
SCHEMBL3754293 0.80 PIK3CA (0.77) PIK3CAMTORPRKDCCA12CA1
SCHEMBL3750548 0.79 PRKDC (0.75) PIK3CAMTORPRKDC
SCHEMBL3753438 0.78 PIK3CA (0.67) PIK3CAMTORPRKDC
SCHEMBL3749433 0.78 PIK3CA (0.70) PIK3CAMTORPRKDC

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 5 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
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 PIK3CA 16/4885MTOR 1/4885PRKDC 480/4885

“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.