SCHEMBL279185

SCHEMBL279185

CNC(=O)C1CNCCc2c1[nH]c1ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 2/20 0.53
MAPKAPK2 P49137 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.51
KDM4E B2RXH2 2/20 0.47
HTR5A P47898 1/20 0.47
NISCH Q9Y2I1 1/20 0.47
NR2E1 Q9Y466 1/20 0.47
HTR7 P34969 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
PRMT5 O14744 4/20 0.45
EGFR P00533 4/20 0.45
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
LMNA P02545 1/20 0.44
BRD3 Q15059 1/20 0.44
DRD2 P14416 1/20 0.43
GRIN2B Q13224 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL7248573 0.86 SIRT1 (0.52) SIRT1MAPKAPK2SIRT2KDM4EHTR5A
SCHEMBL10278388 0.85 MAPKAPK2 (0.63) SIRT1MAPKAPK2SIRT2KDM4EHTR5A
SCHEMBL275311 0.84 SIRT1 (0.71) SIRT1MAPKAPK2SIRT2KDM4EHTR5A
SCHEMBL7244005 0.81 SIRT1 (0.47) SIRT1MAPKAPK2SIRT2KDM4EHTR5A
SCHEMBL274285 0.81 KDM4E (0.54) SIRT1MAPKAPK2SIRT2KDM4EHTR5A
SCHEMBL7244000 0.79 CYP1A2 (0.49) SIRT1MAPKAPK2SIRT2KDM4EHTR5A
SCHEMBL7074767 0.78 HTR7 (0.55) MAPKAPK2KDM4EHTR5ANISCHNR2E1
SCHEMBL275312 0.76 SIRT1 (0.52) SIRT1MAPKAPK2SIRT2KDM4EHTR5A
SCHEMBL11496260 0.76 CYP19A1 (0.48) SIRT1MAPKAPK2SIRT2KDM4EHTR5A
SCHEMBL17520542 0.74 KDM4E (0.42) KDM4EHTR5ANISCHNR2E1CYP3A4

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 13 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-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
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-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-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-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
US-7485634-B2 Azepinoindole and pyridoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2009-02-03 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 (2 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-20100173824-A1 Azepinoindole Derivatives As Pharmaceutical Agents HTR2A, HTR5A, HTR2C SIRT1 2107/4885MAPKAPK2 1457/4885SIRT2 2916/4885
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents HTR5A, MTNR1A, PTGDR SIRT1 2385/4885MAPKAPK2 1349/4885SIRT2 3154/4885

“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.