SCHEMBL134495

SCHEMBL134495

Nc1sc2c(c1C(=O)c1cccs1)CCC2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.62
MAPT P10636 8/20 0.62
HPGD P15428 6/20 0.62
LMNA P02545 5/20 0.62
GAA P10253 2/20 0.62
TDP1 Q9NUW8 1/20 0.56
MEN1 O00255 7/20 0.55
KMT2A Q03164 7/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
KDM4E B2RXH2 4/20 0.55
RECQL P46063 1/20 0.55
ADORA1 P30542 2/20 0.55
HSD17B10 Q99714 4/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
ALOX15 P16050 2/20 0.53
MAPK1 P28482 2/20 0.53
ESR1 P03372 1/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53

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
SCHEMBL4057207 0.97 ALDH1A1 (0.66) ALDH1A1MAPTHPGDLMNAGAA
SCHEMBL14156267 0.82 MEN1 (0.60) ALDH1A1MAPTHPGDLMNAGAA
SCHEMBL5676469 0.81 ALDH1A1 (0.58) ALDH1A1MAPTHPGDLMNAGAA
SCHEMBL136108 0.80 MAPT (0.94) ALDH1A1MAPTHPGDLMNAGAA
SCHEMBL5676729 0.78 ALDH1A1 (0.62) ALDH1A1MAPTHPGDLMNAGAA
SCHEMBL5675385 0.78 TDP1 (0.63) ALDH1A1MAPTHPGDLMNAGAA
SCHEMBL1637546 0.77 ALDH1A1 (1.00) ALDH1A1MAPTHPGDLMNAGAA
SCHEMBL30133117 0.76 ALDH1A1 (0.63) ALDH1A1MAPTHPGDLMNAGAA
SCHEMBL5678900 0.76 ALDH1A1 (0.63) ALDH1A1MAPTHPGDLMNAGAA
SCHEMBL5851585 0.75 ALDH1A1 (0.97) ALDH1A1MAPTHPGDLMNAGAA

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401441-A4 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS KING PHARMACEUTICALS RES & DEV (US) 2006-09-06 EP claimed
US-20040077630-A1 Allosteric adenosine receptor modulators BARALDI PIER GIOVANNI (IT) 2004-04-22 US claimed
EP-1401441-A2 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS King Pharmaceuticals Research and Development Inc. (US) 2004-03-31 EP claimed
US-20020143004-A1 Allosteric adenosine receptor modulators KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. 2002-10-03 US claimed
WO-2002074056-A2 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT INC. (US) 2002-09-26 WO claimed
US-20010047008-A1 Allosteric adenosine receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2001-11-29 US claimed
EP-2430029-B1 THIENO[2,3-B]PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS UNIV LEUVEN KATH (BE) 2018-01-10 EP disclosed
US-9499563-B2 Thieno [2, 3-B] pyridine derivatives as viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2016-11-22 US disclosed
US-20140296272-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS CISTIM LEUVEN VZW (BE) 2014-10-02 US disclosed
US-8785638-B2 Thieno [2, 3-B] pyridine derivatives as viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2014-07-22 US disclosed
EP-2430029-A1 THIENO [2, 3-B]PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS Katholieke Universiteit Leuven (BE) 2012-03-21 EP disclosed
US-20120059028-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-03-08 US disclosed
WO-2010130842-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2010-11-18 WO disclosed
US-6727258-B2 E.G., KETONE DERIVATIVES OF THIENOTHIOPYRANS, BENZOTHIOPHENES, THIENOPYRIDINES, CYCLOPENTATHIOPHENES, THIOPHENYLNAPHTHALENES, THIOPHENYLBENZOFURANS, ETC. KING PHARMACEUTICAL RESEARCH & DEVELOPMENT, INC. 2004-04-27 US disclosed
US-20040077630-A1 Allosteric adenosine receptor modulators BARALDI PIER GIOVANNI (IT) 2004-04-22 US disclosed
EP-1401441-A2 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS King Pharmaceuticals Research and Development Inc. (US) 2004-03-31 EP disclosed
US-20020147231-A1 Allosteric adenosine receptor modulators KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. 2002-10-10 US disclosed
US-20020147185-A1 Allosteric adenosine receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2002-10-10 US disclosed
WO-2002074056-A2 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT INC. (US) 2002-09-26 WO disclosed
US-20010047008-A1 Allosteric adenosine receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2001-11-29 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 (7 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-20020147231-A1 Allosteric adenosine receptor modulators ADORA2A, ADORA1, ADORA2B ALDH1A1 424/4885MAPT 4840/4885HPGD 1124/4885
US-20040077630-A1 Allosteric adenosine receptor modulators ADORA2A, ADORA1, ADORA2B ALDH1A1 291/4885MAPT 4793/4885HPGD 972/4885
US-20140296272-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS TYMP, DUT, MAVS ALDH1A1 1925/4885MAPT 2061/4885HPGD 466/4885
US-20120059028-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS TYMP, DUT, MAVS ALDH1A1 1925/4885MAPT 2061/4885HPGD 466/4885
US-20010047008-A1 Allosteric adenosine receptor modulators ADORA2A, ADORA1, ADORA2B ALDH1A1 291/4885MAPT 4793/4885HPGD 972/4885
US-20020143004-A1 Allosteric adenosine receptor modulators ADORA2A, ADORA1, ADORA2B ALDH1A1 328/4885MAPT 4839/4885HPGD 1035/4885
US-20020147185-A1 Allosteric adenosine receptor modulators ADORA2A, ADORA1, ADORA2B ALDH1A1 328/4885MAPT 4839/4885HPGD 1035/4885

“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.