SCHEMBL3753438

SCHEMBL3753438

CS(=O)(=O)c1ccc(C(=O)N2CCOc3ccc(-c4cnc5ccccc5c4)cc3C2)c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.67
MTOR P42345 1/20 0.61
PRKDC P78527 1/20 0.58
CREBBP Q92793 4/20 0.46

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
SCHEMBL3750548 0.88 PRKDC (0.75) PIK3CAMTORPRKDCCREBBP
SCHEMBL3749433 0.85 PIK3CA (0.70) PIK3CAMTORPRKDCCREBBP
SCHEMBL3754725 0.85 PIK3CA (0.70) PIK3CAMTORPRKDCCREBBP
SCHEMBL3755987 0.84 PIK3CA (0.65) PIK3CAMTORPRKDCCREBBP
SCHEMBL3753031 0.83 PIK3CA (0.80) PIK3CAMTORPRKDC
SCHEMBL3759886 0.83 PIK3CA (0.76) PIK3CAMTORPRKDCCREBBP
SCHEMBL3754722 0.82 PIK3CA (0.77) PIK3CAMTORPRKDCCREBBP
SCHEMBL3762554 0.80 PIK3CA (0.83) PIK3CAMTORCREBBP
SCHEMBL3754245 0.79 PIK3CA (0.67) PIK3CAMTORPRKDC
SCHEMBL3760577 0.78 PIK3CA (0.66) PIK3CAMTORPRKDCCREBBP

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 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.