SCHEMBL935141

SCHEMBL935141

N#Cc1c(N)[nH]c(=S)c(C#N)c1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 1.00
MAPT P10636 6/20 1.00
HSD17B10 Q99714 4/20 1.00
ALOX15 P16050 2/20 1.00
KDM4E B2RXH2 2/20 1.00
HPGD P15428 3/20 0.53
NPSR1 Q6W5P4 2/20 0.47
HTT P42858 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
UBE2N P61088 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CDK5 Q00535 1/20 0.43
DYRK1A Q13627 1/20 0.43
CDK5R1 Q15078 1/20 0.43
CUL4A Q13619 1/20 0.43

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
SCHEMBL3064294 0.80 MAPT (0.67) ALDH1A1MAPTHSD17B10ALOX15KDM4E
SCHEMBL935581 0.80 ALDH1A1 (0.67) ALDH1A1MAPTHSD17B10ALOX15KDM4E
SCHEMBL1539779 0.78 MAPT (0.64) ALDH1A1MAPTHSD17B10ALOX15KDM4E
SCHEMBL1539813 0.78 MAPT (0.64) ALDH1A1MAPTHSD17B10ALOX15KDM4E
SCHEMBL1539819 0.78 ALDH1A1 (0.64) ALDH1A1MAPTHSD17B10ALOX15KDM4E
SCHEMBL6441223 0.76 ALDH1A1 (0.61) ALDH1A1MAPTHSD17B10ALOX15KDM4E
SCHEMBL27587795 0.75 ALDH1A1 (0.59) ALDH1A1MAPTHSD17B10ALOX15KDM4E
SCHEMBL3090550 0.74 MAPT (0.58) ALDH1A1MAPTHSD17B10ALOX15KDM4E
SCHEMBL1778210 0.74 KDM4E (0.58) ALDH1A1MAPTHSD17B10ALOX15KDM4E
SCHEMBL12681373 0.73 ALDH1A1 (0.55) ALDH1A1MAPTHSD17B10ALOX15KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007073855-A1 USE OF ADENOSINE A1 RECEPTOR AGONISTS FOR THE PROTECTION OF RENAL CELLS AGAINST TOXIC EFFECTS CAUSED BY AMINOGLYCOSIDES DURING TREATMENT OF INFECTIOUS DISEASES BAYER HEALTHCARE AG (DE) 2007-07-05 WO claimed
EP-3782622-A1 ADENOSINE A2B RECEPTOR AGONIST FOR THE TREATMENT OF MUSCULOSKELETAL CONDITIONS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2021-02-24 EP disclosed
WO-2018153899-A1 SELECTIVE PARTIAL ADENOSINE A1 RECEPTOR AGONISTS IN COMBINATION WITH SOLUBLE GUANYLYL CYCLASE (SGC) STIMULATORS AND/OR ACTIVATORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-08-30 WO disclosed
WO-2018153898-A1 SELECTIVE PARTIAL ADENOSINE A1 RECEPTOR AGONISTS IN COMBINATION WITH MINERALOCORTICOID RECEPTOR ANTAGONISTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-08-30 WO disclosed
WO-2018153897-A1 SELECTIVE PARTIAL ADENOSINE A1 RECEPTOR AGONISTS IN COMBINATION WITH HCN CHANNEL BLOCKERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-08-30 WO disclosed
WO-2018153895-A1 SELECTIVE PARTIAL ADENOSINE A1 RECEPTOR AGONISTS IN COMBINATION WITH A NEUTRAL ENDOPEPTIDASE INHIBITOR AND/OR AN ANGIOTENSIN II RECEPTOR ANTAGONIST BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-08-30 WO disclosed
WO-2018153900-A1 SELECTIVE PARTIAL ADENOSINE A1 RECEPTOR AGONISTS IN COMBINATION WITH SGLT-2 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2018-08-30 WO disclosed
US-20160311812-A1 ADENOSINE A1 AGONISTS AS MEDICAMENTS FOR KIDNEY DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-10-27 US disclosed
EP-3079696-A1 ADENOSINE A1 AGONISTS AS MEDICAMENTS AGAINST RENAL DISEASES Bayer Pharma Aktiengesellschaft (DE) 2016-10-19 EP disclosed
EP-2274299-B1 HETEROARYL-SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF FOR TREATMENT OF CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2016-06-15 EP disclosed
WO-2005034950-A1 PYRIDOTHIOPHENE COMPOUNDS VERNALIS (CAMBRIDGE) LIMITED (GB) 2005-04-21 WO disclosed
US-20040176417-A1 Substituted 2-thio-3, 5-dicyano-4-phenyl-6-aminopyridines and their use as adenosine receptor-selective ligands BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-09-09 US disclosed
US-20040176417-A1 Substituted 2-thio-3, 5-dicyano-4-phenyl-6-aminopyridines and their use as adenosine receptor-selective ligands BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-09-09 US disclosed
US-20040102626-A1 Substituted 2-thio-3,5-dicyano-4-phenyl-6-aminopyridines with adenosine receptor-binding activity and their use cardiovascular preparations BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-05-27 US disclosed
EP-1417173-A1 SUBSTITUTED 2-THIO-3, 5-DICYANO-4-PHENYL-6-AMINOPYRIDINES AND THEIR USE AS ADENOSINE RECEPTOR-SELECTIVE LIGANDS Bayer HealthCare AG (DE) 2004-05-12 EP disclosed
US-6586441-B2 2-Amino-6-benzylsulfanyl-4-thiophen-2-yl-pyridine-3,5-dicarbo -nitrile as an examplary preferred compound; Alzheimer's and Parkinson's diseases; neuroprotectors; schizophrenia, analgesics; anxiolytic agents; respiratory disorders HOFFMAN-LA ROCHE INC. 2003-07-01 US disclosed
WO-2003008384-A1 SUBSTITUTED 2-THIO-3, 5-DICYANO-4-PHENYL-6-AMINOPYRIDINES AND THEIR USE AS ADENOSINE RECEPTOR-SELECTIVE LIGANDS BAYER HEALTHCARE AG (DE) 2003-01-30 WO disclosed
EP-1261327-A2 ADENOSINE RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2002-12-04 EP disclosed
US-20010027196-A1 Adenosine receptor ligands and their use in the treatment of disease F. HOFFMANN-LA ROCHE AG (CH) 2001-10-04 US disclosed
WO-2001062233-A2 ADENOSINE RECEPTOR MODULATORS F. HOFFMANN LA ROCHE AG (CH) 2001-08-30 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-20010027196-A1 Adenosine receptor ligands and their use in the treatment of disease ADORA2A, ADORA2B, ADORA1 ALDH1A1 534/4885MAPT 1878/4885HSD17B10 3742/4885
US-20040102626-A1 Substituted 2-thio-3,5-dicyano-4-phenyl-6-aminopyridines with adenosine receptor-binding activity and their use cardiovascular preparations ADORA1, ADORA2A, ADORA3 ALDH1A1 361/4885MAPT 4422/4885HSD17B10 3820/4885
US-20040176417-A1 Substituted 2-thio-3, 5-dicyano-4-phenyl-6-aminopyridines and their use as adenosine receptor-selective ligands ADORA1, ADORA3, ADORA2A ALDH1A1 476/4885MAPT 3697/4885HSD17B10 4556/4885
US-20160311812-A1 ADENOSINE A1 AGONISTS AS MEDICAMENTS FOR KIDNEY DISORDERS ADORA1, ADORA2A, ADORA2B ALDH1A1 336/4885MAPT 4795/4885HSD17B10 3687/4885

“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.