SCHEMBL3755128

SCHEMBL3755128

Cc1nc2ccc(-c3ccc4c(c3)CN(C(=O)c3ccc(C(=O)NCCN5CCCC5)cc3)CCO4)cc2[nH]1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.68
HPGD P15428 1/20 0.48
ATR Q13535 1/20 0.47
CD274 Q9NZQ7 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
SCHEMBL3760309 0.99 PIK3CA (0.67) PIK3CAHPGDATRCD274
SCHEMBL3752598 0.95 PIK3CA (0.67) PIK3CACD274
SCHEMBL3752639 0.91 PIK3CA (0.71) PIK3CA
SCHEMBL3749717 0.90 PIK3CA (0.65) PIK3CACD274
SCHEMBL3765941 0.89 PIK3CA (0.73) PIK3CA
SCHEMBL3755429 0.87 PIK3CA (0.81) PIK3CA
SCHEMBL3754913 0.86 PIK3CA (0.79) PIK3CA
SCHEMBL3761143 0.86 PIK3CA (0.73) PIK3CA
SCHEMBL3756525 0.85 PIK3CA (0.70) PIK3CA
SCHEMBL3755686 0.85 PIK3CA (0.72) PIK3CA

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 16/4885HPGD 1748/4885ATR 3183/4885

“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.