SCHEMBL274737

SCHEMBL274737

CCOC(=S)C1=CNCC(Cc2ccccc2)c2c1[nH]c1ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.37
NR1H4 Q96RI1 4/20 0.36
KDM4E B2RXH2 7/20 0.34
ALDH1A1 P00352 5/20 0.34
MAPT P10636 4/20 0.34
GAA P10253 2/20 0.34
F2 P00734 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HTT P42858 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
TUBB4A P04350 2/20 0.32
TUBB P07437 2/20 0.32
TUBA3C P0DPH7 2/20 0.32

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
SCHEMBL274274 0.88 NR1H4 (0.48) MAPKAPK2NR1H4KDM4EALDH1A1MAPT
SCHEMBL274617 0.76 NR1H4 (0.51) NR1H4KDM4EALDH1A1MAPTGAA
SCHEMBL5403423 0.74 NR1H4 (0.49) NR1H4KDM4EALDH1A1MAPTGAA
SCHEMBL275696 0.73 MAPKAPK2 (0.37) MAPKAPK2NR1H4KDM4EALDH1A1MAPT
SCHEMBL5394788 0.73 NR1H4 (0.48) NR1H4KDM4EALDH1A1MAPTGAA
SCHEMBL273620 0.72 AURKA (0.45) NR1H4KDM4EALDH1A1MAPTMEN1
SCHEMBL274363 0.70 NR1H4 (0.59) MAPKAPK2NR1H4KDM4EALDH1A1MAPT
SCHEMBL16569217 0.68 NR1H4 (0.43) NR1H4KDM4EALDH1A1HSD17B10TUBB4A
SCHEMBL275237 0.68 TUBB4A (0.49) NR1H4KDM4EALDH1A1MAPTGAA
SCHEMBL275471 0.67 NR1H4 (0.48) NR1H4KDM4EALDH1A1MAPTGAA

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-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-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
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

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 MAPKAPK2 1349/4885NR1H4 268/4885KDM4E 4534/4885
US-20100173824-A1 Azepinoindole Derivatives As Pharmaceutical Agents HTR2A, HTR5A, HTR2C MAPKAPK2 1457/4885NR1H4 253/4885KDM4E 4561/4885
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents HTR5A, MTNR1A, PTGDR MAPKAPK2 1349/4885NR1H4 268/4885KDM4E 4534/4885
US-20050054634-A1 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents GPR119, IRS1, INSR MAPKAPK2 2823/4885NR1H4 75/4885KDM4E 4581/4885

“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.