SCHEMBL3757850

SCHEMBL3757850

CCc1c(C(=O)N2CCOc3ccc(-c4ccc(-c5csc(NC(C)=O)n5)cc4)cc3C2)ccc(S(C)(=O)=O)c1F

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.52
PIK3CA P42336 9/20 0.51
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
GPR142 Q7Z601 4/20 0.40
LMNA P02545 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL3756515 0.89 PRKDC (0.59) PRKDCPIK3CARAB9ASMN1; SMN2MAPT
SCHEMBL3755187 0.86 PRKDC (0.59) PRKDCPIK3CARAB9ANPC1SMN1; SMN2
SCHEMBL3755774 0.86 PIK3CA (0.54) PRKDCPIK3CAGPR142
SCHEMBL3754705 0.85 PRKDC (0.53) PRKDCPIK3CA
SCHEMBL3754528 0.85 PRKDC (0.57) PRKDCPIK3CAGPR142
SCHEMBL3754238 0.84 PRKDC (0.56) PRKDCPIK3CAGPR142
SCHEMBL3749833 0.84 PRKDC (0.56) PRKDCPIK3CAGPR142
SCHEMBL3754519 0.84 PRKDC (0.62) PRKDCPIK3CAGPR142
SCHEMBL3756362 0.84 PRKDC (0.57) PRKDCPIK3CAGPR142
SCHEMBL3762593 0.83 PRKDC (0.54) PRKDCPIK3CARAB9ANPC1SMN1; SMN2

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 PRKDC 480/4885PIK3CA 16/4885RAB9A 804/4885

“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.