SCHEMBL3749705

SCHEMBL3749705

CCc1c(C(=O)N2CCOc3ccc(-c4ccc5[nH]ncc5c4)cc3C2)ccc(S(C)(=O)=O)c1F

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.58
PIK3CA P42336 15/20 0.58
CREBBP Q92793 4/20 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
SCHEMBL3753472 0.94 PIK3CA (0.60) PRKDCPIK3CACREBBP
SCHEMBL3754364 0.91 PRKDC (0.60) PRKDCPIK3CACREBBP
SCHEMBL3748170 0.90 PRKDC (0.71) PRKDCPIK3CACREBBP
SCHEMBL3762511 0.89 PRKDC (0.60) PRKDCPIK3CACREBBP
SCHEMBL3754558 0.88 PRKDC (0.59) PRKDCPIK3CACREBBP
SCHEMBL3754519 0.86 PRKDC (0.62) PRKDCPIK3CA
SCHEMBL3758292 0.86 PRKDC (0.59) PRKDCPIK3CA
SCHEMBL3754014 0.86 PIK3CA (0.65) PRKDCPIK3CA
SCHEMBL3756142 0.85 PIK3CA (0.60) PRKDCPIK3CACREBBP
SCHEMBL3750661 0.85 PRKDC (0.66) PRKDCPIK3CA

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 3 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

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 16/4885CREBBP 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.