SCHEMBL3756493

SCHEMBL3756493

O=C(c1ccco1)N1CCOc2ccc(-c3ccc4nc[nH]c4c3)cc2C1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.67
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
MTOR P42345 1/20 0.44
CREBBP Q92793 1/20 0.44

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
SCHEMBL3754864 0.84 PIK3CA (0.65) PIK3CAKDM4EMTOR
SCHEMBL3748310 0.84 PIK3CA (0.81) PIK3CA
SCHEMBL3753575 0.83 PIK3CA (0.72) PIK3CAKDM4EMTOR
SCHEMBL3751030 0.83 PIK3CA (0.68) PIK3CAKDM4EMAPTMTOR
SCHEMBL3758042 0.83 PIK3CA (0.68) PIK3CAKDM4EMTORCREBBP
SCHEMBL3756798 0.83 PIK3CA (0.77) PIK3CAMTOR
SCHEMBL3755760 0.82 PIK3CA (0.79) PIK3CAKDM4EMTOR
SCHEMBL3755037 0.82 PIK3CA (0.82) PIK3CAKDM4E
SCHEMBL3754351 0.82 PIK3CA (0.70) PIK3CAKDM4EMTOR
SCHEMBL3756017 0.82 PIK3CA (0.67) PIK3CAKDM4EMTORCREBBP

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 16/4885KDM4E 718/4885TP53 878/4885

“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.