SCHEMBL273620

SCHEMBL273620

CCOC(=S)C1=CNCCc2c1[nH]c1ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.45
MAPK10 P53779 1/20 0.45
RIPK1 Q13546 1/20 0.45
NR1H4 Q96RI1 3/20 0.43
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 10/20 0.41
MEN1 O00255 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 5/20 0.40
MAPK1 P28482 2/20 0.40
HTR5A P47898 2/20 0.40
NISCH Q9Y2I1 2/20 0.40
AURKB Q96GD4 2/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
POLB P06746 2/20 0.40
ADRB2 P07550 1/20 0.40

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
SCHEMBL273038 0.85 NR1H4 (0.58) AURKAMAPK10RIPK1NR1H4KMT2A
SCHEMBL274161 0.79 NR1H4 (0.59) AURKAMAPK10RIPK1NR1H4KMT2A
SCHEMBL273592 0.76 IDO1 (0.53) AURKAMAPK10RIPK1NR1H4KMT2A
SCHEMBL273348 0.75 KDM4E (0.51) KMT2AKDM4EMEN1CYP1A2CYP2C19
SCHEMBL4760700 0.73 KDM4E (0.47) AURKAMAPK10RIPK1NR1H4KMT2A
SCHEMBL278699 0.73 NR1H4 (0.58) AURKAMAPK10RIPK1NR1H4KMT2A
SCHEMBL273902 0.72 MAPK1 (0.57) AURKAMAPK10RIPK1NR1H4KMT2A
SCHEMBL273149 0.72 GAA (0.56) MAPK10NR1H4KMT2AKDM4EMEN1
SCHEMBL274737 0.72 MAPKAPK2 (0.37) AURKAMAPK10RIPK1NR1H4KMT2A
SCHEMBL274736 0.71 KDM4E (0.43) KMT2AKDM4EMEN1HPGDHTT

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 AURKA 4418/4885MAPK10 2438/4885RIPK1 2064/4885
US-20100173824-A1 Azepinoindole Derivatives As Pharmaceutical Agents HTR2A, HTR5A, HTR2C AURKA 4604/4885MAPK10 2166/4885RIPK1 2953/4885
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents HTR5A, MTNR1A, PTGDR AURKA 4418/4885MAPK10 2438/4885RIPK1 2064/4885
US-20050054634-A1 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents GPR119, IRS1, INSR AURKA 4298/4885MAPK10 2577/4885RIPK1 945/4885

“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.