SCHEMBL940221

SCHEMBL940221

COC(=O)c1csc(-c2cn[nH]c2)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
ROCK2 O75116 16/20 0.42
ROCK1 Q13464 11/20 0.42
GPR35 Q9HC97 1/20 0.39
CYP2A6 P11509 1/20 0.38
ERN1 O75460 1/20 0.38

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
SCHEMBL24418208 0.85 CYP2C9 (0.41) DYRK1ADYRK1BROCK2ROCK1GPR35
SCHEMBL939164 0.83 GPR35 (0.45) DYRK1ADYRK1BROCK2ROCK1GPR35
SCHEMBL16638963 0.82 DYRK1A (0.42) DYRK1ADYRK1BROCK2ROCK1GPR35
SCHEMBL29473506 0.79 CA1 (0.48)
SCHEMBL27677394 0.77 CYP46A1 (0.47) ROCK1CYP2A6
SCHEMBL2454052 0.75 TSHR (0.53)
SCHEMBL3721441 0.75 DYRK1A (0.44) DYRK1ADYRK1BROCK2ROCK1GPR35
SCHEMBL12911929 0.74 HPGD (0.51) DYRK1ADYRK1BROCK2ROCK1
SCHEMBL12178648 0.74 HPGD (0.51) DYRK1ADYRK1BROCK2ROCK1
SCHEMBL23535725 0.73 ROCK2 (0.64) ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2283004-B1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE UNIV EDINBURGH (GB) 2015-05-27 EP disclosed
EP-2283004-B1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE UNIV EDINBURGH (GB) 2015-05-27 EP disclosed
EP-2477983-B1 (4-PHENYL-PIPERIDIN-1-YL)-[5-1H-PYRAZOL-4YL)-THIOPHEN-3-YL]-METHANONE COMPOUNDS AND THEIR USE UNIV EDINBURGH (GB) 2015-04-15 EP disclosed
EP-2477983-B1 (4-PHENYL-PIPERIDIN-1-YL)-[5-1H-PYRAZOL-4YL)-THIOPHEN-3-YL]-METHANONE COMPOUNDS AND THEIR USE UNIV EDINBURGH (GB) 2015-04-15 EP disclosed
US-8642621-B2 (4-phenyl-piperidin-1-yl)-[5-(1H-pyrazol-4-yl)-thiophen-3-yl]-methanone compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2014-02-04 US disclosed
US-8642621-B2 (4-phenyl-piperidin-1-yl)-[5-(1H-pyrazol-4-yl)-thiophen-3-yl]-methanone compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2014-02-04 US disclosed
US-8642621-B2 (4-phenyl-piperidin-1-yl)-[5-(1H-pyrazol-4-yl)-thiophen-3-yl]-methanone compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2014-02-04 US disclosed
US-8614209-B2 Amido-thiophene compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2013-12-24 US disclosed
US-20130012545-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2013-01-10 US disclosed
US-20130012545-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2013-01-10 US disclosed
US-20120172393-A1 (4-Phenyl-piperidin-1-yl)-[5-(1H-pyrazol-4-yl)-thiophen-3-yl]-methanone Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2012-07-05 US disclosed
US-20120172393-A1 (4-Phenyl-piperidin-1-yl)-[5-(1H-pyrazol-4-yl)-thiophen-3-yl]-methanone Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2012-07-05 US disclosed
US-20120172393-A1 (4-Phenyl-piperidin-1-yl)-[5-(1H-pyrazol-4-yl)-thiophen-3-yl]-methanone Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2012-07-05 US disclosed
WO-2011033255-A1 (4-PHENYL-PIPERIDIN-1-YL)-[5-1H-PYRAZOL-4YL)-THIOPHEN-3-YL]-METHANONE COMPOUNDS AND THEIR USE THE UNIVERSITY OF EDINBURGH (GB) 2011-03-24 WO disclosed
EP-2283004-A1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE THE UNIVERSITY OF EDINBURGH (GB) 2011-02-16 EP disclosed
US-20110015178-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2011-01-20 US disclosed
US-20110015178-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2011-01-20 US disclosed
US-20110015178-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2011-01-20 US disclosed
WO-2009112845-A1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE THE UNIVERSITY OF EDINBURGH (GB) 2009-09-17 WO disclosed
WO-2009112845-A1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE THE UNIVERSITY OF EDINBURGH (GB) 2009-09-17 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 (3 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-20110015178-A1 Amido-Thiophene Compounds and Their Use HSD11B1, HSD11B2, HSD17B1 DYRK1A 3405/4885DYRK1B 3449/4885ROCK2 1944/4885
US-20120172393-A1 (4-Phenyl-piperidin-1-yl)-[5-(1H-pyrazol-4-yl)-thiophen-3-yl]-methanone Compounds and Their Use HSD11B1, HSD17B1, HSD3B1 DYRK1A 3496/4885DYRK1B 3759/4885ROCK2 2279/4885
US-20130012545-A1 Amido-Thiophene Compounds and Their Use HSD11B1, HSD11B2, HSD17B1 DYRK1A 3405/4885DYRK1B 3449/4885ROCK2 1944/4885

“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.