SCHEMBL3755889

SCHEMBL3755889

CCc1ccccc1C(=O)N1CCOc2ccc(-c3ccc(N)nc3)cc2C1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.64
PRKDC P78527 1/20 0.62
MTOR P42345 1/20 0.48
GPR142 Q7Z601 2/20 0.44
CREBBP Q92793 4/20 0.43

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
SCHEMBL3757998 0.89 PRKDC (0.66) PIK3CAPRKDCMTORGPR142CREBBP
SCHEMBL3762270 0.87 PIK3CA (0.63) PIK3CAPRKDCMTORGPR142
SCHEMBL3749707 0.85 PRKDC (0.69) PIK3CAPRKDCMTORGPR142CREBBP
SCHEMBL3757754 0.84 PIK3CA (0.76) PIK3CAPRKDCMTORGPR142
SCHEMBL3749659 0.84 PRKDC (0.68) PIK3CAPRKDCMTORGPR142CREBBP
SCHEMBL3755611 0.84 PIK3CA (0.75) PIK3CAPRKDCMTOR
SCHEMBL3754642 0.84 PRKDC (0.72) PIK3CAPRKDCMTORGPR142CREBBP
SCHEMBL3755163 0.84 PRKDC (0.67) PIK3CAPRKDCMTORGPR142CREBBP
SCHEMBL3755382 0.83 PIK3CA (0.76) PIK3CAPRKDCMTORGPR142
SCHEMBL3750283 0.82 PRKDC (0.70) PIK3CAPRKDCMTORGPR142CREBBP

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 16/4885PRKDC 480/4885MTOR 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.