SCHEMBL273902

SCHEMBL273902

CCOC(=O)C1=CNCCc2c1[nH]c1cc(C(=O)OCC)ccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.57
PLK4 O00444 1/20 0.57
DAPK3 O43293 1/20 0.57
DYRK3 O43781 1/20 0.57
JAK2 O60674 1/20 0.57
PRKD3 O94806 1/20 0.57
MAP4K4 O95819 1/20 0.57
PIM1 P11309 1/20 0.57
RPS6KB1 P23443 1/20 0.57
CDK2 P24941 1/20 0.57
KDR P35968 1/20 0.57
MAPK8 P45983 1/20 0.57
CLK2 P49760 1/20 0.57
GSK3B P49841 1/20 0.57
CDK5 Q00535 1/20 0.57
DYRK1A Q13627 1/20 0.57
PIM3 Q86V86 1/20 0.57
MINK1 Q8N4C8 1/20 0.57
AURKB Q96GD4 1/20 0.57
PBK Q96KB5 1/20 0.57

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
SCHEMBL273035 0.88 NR1H4 (0.53) MAPK1PLK4DAPK3DYRK3JAK2
SCHEMBL274791 0.87 KDM4E (0.48) MAPK1PLK4DAPK3DYRK3JAK2
SCHEMBL273038 0.86 NR1H4 (0.58) MAPK1PLK4DAPK3DYRK3JAK2
SCHEMBL273774 0.84 PLK4 (0.43) MAPK1PLK4DAPK3DYRK3JAK2
SCHEMBL273149 0.82 GAA (0.56) MAPK1PLK4DAPK3DYRK3JAK2
SCHEMBL273576 0.81 PLK4 (0.53) MAPK1PLK4DAPK3DYRK3JAK2
SCHEMBL273671 0.81 MAPK1 (0.53) MAPK1PLK4DAPK3DYRK3JAK2
SCHEMBL273925 0.81 MAPK1 (0.53) MAPK1PLK4DAPK3DYRK3JAK2
SCHEMBL274609 0.81 MPL (0.44) MAPK1PLK4DAPK3DYRK3JAK2
SCHEMBL273610 0.81 KDM4E (0.54) MAPK1PLK4DAPK3DYRK3JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524704-B2 Azepinoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-09-03 US disclosed
US-8133992-B2 Azepinoindole and pyridoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2012-03-13 US disclosed
EP-1532153-B1 AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X CEPTOR THERAPEUTICS INC (US) 2012-02-29 EP disclosed
US-20100173824-A1 Azepinoindole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2010-07-08 US disclosed
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents EXELIXIS, INC. (US) 2009-12-31 US disclosed
US-7595311-B2 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents EXELIXIS, INC. (US) 2009-09-29 US disclosed
US-7485634-B2 Azepinoindole and pyridoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2009-02-03 US disclosed
EP-1532153-A1 AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X-Ceptor Therapeutics, Inc. (US) 2005-05-25 EP disclosed
US-20050054634-A1 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents AKARNA THERAPEUTICS, LTD. (GB) 2005-03-10 US disclosed
US-20040023947-A1 Azepinoindole and pyridoindole derivatives as pharmaceutical agents X-CEPTOR THERAPEUTICS INC. 2004-02-05 US disclosed
WO-2003099821-A1 AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X-CEPTOR THERAPEUTICS, INC. (US) 2003-12-04 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 (4 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-20040023947-A1 Azepinoindole and pyridoindole derivatives as pharmaceutical agents HTR5A, MTNR1A, PTGDR MAPK1 1907/4885PLK4 3120/4885DAPK3 2094/4885
US-20100173824-A1 Azepinoindole Derivatives As Pharmaceutical Agents HTR2A, HTR5A, HTR2C MAPK1 2297/4885PLK4 4397/4885DAPK3 2111/4885
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents HTR5A, MTNR1A, PTGDR MAPK1 1907/4885PLK4 3120/4885DAPK3 2094/4885
US-20050054634-A1 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents GPR119, IRS1, INSR MAPK1 2968/4885PLK4 3359/4885DAPK3 1814/4885

“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.