SCHEMBL3757998

SCHEMBL3757998

Cc1ccccc1C(=O)N1CCOc2ccc(-c3ccc(N)nc3)cc2C1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.66
PIK3CA P42336 12/20 0.66
MTOR P42345 1/20 0.49
CREBBP Q92793 5/20 0.48
GPR142 Q7Z601 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL3749707 0.93 PRKDC (0.69) PRKDCPIK3CAMTORCREBBPGPR142
SCHEMBL3750283 0.90 PRKDC (0.70) PRKDCPIK3CAMTORCREBBPGPR142
SCHEMBL3752936 0.90 PRKDC (0.68) PRKDCPIK3CAMTORCREBBP
SCHEMBL3755889 0.89 PIK3CA (0.64) PRKDCPIK3CAMTORCREBBPGPR142
SCHEMBL3762270 0.89 PIK3CA (0.63) PRKDCPIK3CAMTORGPR142ALDH1A1
SCHEMBL3760861 0.88 PRKDC (0.66) PRKDCPIK3CAMTORCREBBPGPR142
SCHEMBL3749659 0.88 PRKDC (0.68) PRKDCPIK3CAMTORCREBBPGPR142
SCHEMBL3756058 0.88 PRKDC (0.66) PRKDCPIK3CAMTORCREBBP
SCHEMBL3755163 0.87 PRKDC (0.67) PRKDCPIK3CAMTORCREBBPGPR142
SCHEMBL3754642 0.87 PRKDC (0.72) PRKDCPIK3CAMTORCREBBPGPR142

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

“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.