SCHEMBL3756772

SCHEMBL3756772

CCn1c(C(=O)N2CCOc3ccc(-c4ccc5nc(C)[nH]c5c4)cc3C2)cc2cc(S(C)(=O)=O)ccc21

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.57
PRKDC P78527 1/20 0.41
CREBBP Q92793 2/20 0.38

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
SCHEMBL7860009 0.92 PIK3CA (0.51) PIK3CAPRKDCCREBBP
SCHEMBL3762451 0.91 PIK3CA (0.60) PIK3CAPRKDCCREBBP
SCHEMBL3754736 0.89 PIK3CA (0.61) PIK3CAPRKDC
SCHEMBL3753034 0.84 PIK3CA (0.61) PIK3CAPRKDC
SCHEMBL3750120 0.84 PIK3CA (0.59) PIK3CACREBBP
SCHEMBL3755001 0.84 PIK3CA (0.61) PIK3CA
SCHEMBL3748041 0.84 PIK3CA (0.62) PIK3CAPRKDCCREBBP
SCHEMBL3755298 0.84 PIK3CA (0.76) PIK3CA
SCHEMBL3749817 0.83 PIK3CA (0.56) PIK3CA
SCHEMBL3757004 0.83 PIK3CA (0.65) PIK3CAPRKDCCREBBP

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 16/4885PRKDC 480/4885CREBBP 1171/4885

“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.