SCHEMBL135571

SCHEMBL135571

Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.73
ADORA1 P30542 2/20 0.64
ALDH1A1 P00352 5/20 0.64
MAPT P10636 5/20 0.64
HPGD P15428 3/20 0.64
LMNA P02545 1/20 0.64
GAA P10253 1/20 0.64
KDM4E B2RXH2 3/20 0.54
HSD17B10 Q99714 2/20 0.54
USP2 O75604 1/20 0.54
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALOX15 P16050 2/20 0.52
MAPK1 P28482 1/20 0.52
ALOX12 P18054 1/20 0.52
RECQL P46063 1/20 0.50

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
SCHEMBL4059386 0.99 TDP1 (0.71) TDP1ADORA1ALDH1A1MAPTHPGD
SCHEMBL4063695 0.97 TDP1 (0.69) TDP1ADORA1ALDH1A1MAPTHPGD
T-62 SCHEMBL135569 0.85 TDP1 (1.00) TDP1ADORA1ALDH1A1MAPTHPGD
SCHEMBL4153860 0.83 TDP1 (0.97) TDP1ADORA1ALDH1A1MAPTHPGD
SCHEMBL134129 0.83 ALDH1A1 (0.73) TDP1ADORA1ALDH1A1MAPTHPGD
SCHEMBL138601 0.82 TDP1 (0.94) TDP1ADORA1ALDH1A1MAPTHPGD
SCHEMBL4144407 0.82 ALDH1A1 (0.71) TDP1ADORA1ALDH1A1MAPTHPGD
SCHEMBL3656064 0.80 ALDH1A1 (0.81) TDP1ADORA1ALDH1A1MAPTHPGD
SCHEMBL5675369 0.80 ALDH1A1 (0.71) TDP1ADORA1ALDH1A1MAPTHPGD
SCHEMBL135885 0.79 MEN1 (0.65) TDP1ADORA1ALDH1A1MAPTHPGD

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
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
US-20120059028-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-03-08 US disclosed
US-20100317709-A1 SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR COMPOUNDS UNIVERSITEIT LEIDEN 2010-12-16 US disclosed
EP-1828199-B1 THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS HOFFMANN LA ROCHE (CH) 2009-05-06 EP disclosed
US-7390903-B2 Thieno-pyridine derivatives as allosteric enhancers of the GABAB receptors HOFFMANN-LA ROCHE INC. (US) 2008-06-24 US disclosed
EP-1828199-A1 THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS F. Hoffmann-Roche AG (CH) 2007-09-05 EP disclosed
US-20060135552-A1 Thieno-pyridine derivatives as allosteric enhancers of the GABAB receptors HOFFMANN-LA ROCHE INC. 2006-06-22 US disclosed
WO-2006063732-A1 THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS F.HOFFMANN-LA ROCHE AG (CH) 2006-06-22 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-20060135552-A1 Thieno-pyridine derivatives as allosteric enhancers of the GABAB receptors GABBR1, CHRNA5, CHRNA3 TDP1 965/4885ADORA1 127/4885ALDH1A1 3097/4885
US-20140296272-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS TYMP, DUT, MAVS TDP1 928/4885ADORA1 847/4885ALDH1A1 1925/4885
US-20100317709-A1 SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR COMPOUNDS S1PR3, S1PR1, S1PR5 TDP1 1316/4885ADORA1 206/4885ALDH1A1 4570/4885
US-20120059028-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS TYMP, DUT, MAVS TDP1 928/4885ADORA1 847/4885ALDH1A1 1925/4885

“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.