SCHEMBL855586

SCHEMBL855586

CS(=O)(=O)c1ccc2ncn[c]c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.36
CBFB Q13951 1/20 0.36
CD38 P28907 1/20 0.36
SCD O00767 3/20 0.35
PDE5A O76074 1/20 0.34
G6PD P11413 1/20 0.34
IDE P14735 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PIP4K2C Q8TBX8 1/20 0.34
TNNI3K Q59H18 1/20 0.34
MET P08581 1/20 0.34
CLK1 P49759 1/20 0.33
RIPK2 O43353 1/20 0.33
RET P07949 1/20 0.33
KDR P35968 1/20 0.33
MAPK14 Q16539 1/20 0.33
PKMYT1 Q99640 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL857553 0.87 G6PD (0.34) NPBWR1CBFBSCDPDE5AG6PD
SCHEMBL27468180 0.71 GLP1R (0.34)
SCHEMBL856169 0.69 MAP4K4 (0.39) KMT2A
SCHEMBL23903922 0.67 OGA (0.46) NPBWR1CBFBSCDG6PDIDE
SCHEMBL856757 0.67 PDE4B (0.46) CD38PDE5APIP4K2CRIPK2RET
SCHEMBL27747790 0.66 GPR119 (0.42)
SCHEMBL11330196 0.64 SMN1; SMN2 (0.35) G6PDIDESMN1; SMN2TNNI3KCLK1
SCHEMBL856173 0.63 PDE4A (0.46) PDE5APIP4K2C
SCHEMBL1266025 0.63 PRKCI (0.52) NPBWR1CBFBSCDSMN1; SMN2ALDH1A1
SCHEMBL13713001 0.63 CYP1A2 (0.55) NPBWR1SCDMEN1ALDH1A1HPGD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-04-17 US disclosed
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-20 US disclosed
US-8648066-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-02-11 US disclosed
EP-2640366-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-09-25 EP disclosed
WO-2012068096-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-05-24 WO disclosed
EP-2432779-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2012-03-28 EP disclosed
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2010-11-25 US disclosed
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 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 (3 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-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA NPBWR1 1395/4885CBFB 4300/4885CD38 2536/4885
US-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA NPBWR1 1721/4885CBFB 3963/4885CD38 2913/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA NPBWR1 1539/4885CBFB 4384/4885CD38 2901/4885

“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.