SCHEMBL3749669

SCHEMBL3749669

CC(C)(C#N)c1ccc(C(=O)N2CCOc3ccc(-c4cnc5ccccc5c4)cc3C2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.75
MTOR P42345 3/20 0.72
PRKDC P78527 2/20 0.50
ATM Q13315 2/20 0.50
ATR Q13535 2/20 0.50
PIK3CD O00329 1/20 0.49
PIK3C2A O00443 1/20 0.49
PIK3C2B O00750 1/20 0.49
CHEK1 O14757 1/20 0.49
ABCB11 O95342 1/20 0.49
CSF1R P07333 1/20 0.49
MET P08581 1/20 0.49
PIK3R1 P27986 1/20 0.49
LTK P29376 1/20 0.49
PIK3CB P42338 1/20 0.49
PIK3CG P48736 1/20 0.49
CDK7 P50613 1/20 0.49
NEK2 P51955 1/20 0.49
JAK3 P52333 1/20 0.49
LIMK1 P53667 1/20 0.49

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
SCHEMBL7858849 0.89 PIK3CA (0.79) PIK3CAMTOR
SCHEMBL3757217 0.86 PIK3CA (0.81) PIK3CAMTOR
SCHEMBL3748233 0.85 PIK3CA (0.80) PIK3CAMTOR
SCHEMBL3758168 0.84 PIK3CA (0.81) PIK3CAMTOR
SCHEMBL3753823 0.84 PIK3CA (0.77) PIK3CAMTOR
SCHEMBL3753031 0.83 PIK3CA (0.80) PIK3CAMTORPRKDC
SCHEMBL3754202 0.83 PIK3CA (0.83) PIK3CAMTOR
SCHEMBL3752987 0.83 PIK3CA (0.79) PIK3CAMTOR
SCHEMBL3752635 0.83 PIK3CA (0.79) PIK3CAMTOR
SCHEMBL3750990 0.83 PIK3CA (0.79) PIK3CAMTOR

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.