SCHEMBL3758081

SCHEMBL3758081

CCc1c(C(=O)N2CCOc3ccc(-c4sc(N)nc4C)cc3C2)ccc(S(C)(=O)=O)c1F

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.59
PIK3CA P42336 14/20 0.54
CREBBP Q92793 3/20 0.38
RIPK1 Q13546 2/20 0.38
PIK3CD O00329 1/20 0.35
PIK3CG P48736 1/20 0.35

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
SCHEMBL3754705 0.89 PRKDC (0.53) PRKDCPIK3CAPIK3CDPIK3CG
SCHEMBL3754404 0.88 PRKDC (0.58) PRKDCPIK3CARIPK1PIK3CDPIK3CG
SCHEMBL3755187 0.87 PRKDC (0.59) PRKDCPIK3CACREBBPRIPK1
SCHEMBL3752516 0.87 PRKDC (0.59) PRKDCPIK3CACREBBPRIPK1
SCHEMBL3754427 0.86 PRKDC (0.64) PRKDCPIK3CACREBBPRIPK1
SCHEMBL3756515 0.85 PRKDC (0.59) PRKDCPIK3CARIPK1
SCHEMBL3755006 0.85 PRKDC (0.64) PRKDCPIK3CACREBBPRIPK1
SCHEMBL3756255 0.84 PRKDC (0.64) PRKDCPIK3CACREBBPRIPK1
SCHEMBL7859563 0.84 PRKDC (0.61) PRKDCPIK3CACREBBPRIPK1
SCHEMBL3715225 0.84 PRKDC (0.70) PRKDCPIK3CARIPK1

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
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 16/4885CREBBP 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.