SCHEMBL3602052

SCHEMBL3602052

N#Cc1c(N)nc(S)c(C#N)c1-c1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 9/20 0.58
ALDH1A1 P00352 3/20 0.51
ADORA2A P29274 4/20 0.49
ADORA2B P29275 2/20 0.49
ADORA3 P0DMS8 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
PIM1 P11309 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SIRT1 Q96EB6 1/20 0.47
HSD17B10 Q99714 4/20 0.47
KDM4E B2RXH2 4/20 0.47
HTT P42858 3/20 0.47
LMNA P02545 2/20 0.47
ALOX15 P16050 2/20 0.47
MAPK1 P28482 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.46
GAA P10253 1/20 0.46
ALOX12 P18054 1/20 0.46

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
SCHEMBL13914325 0.86 KDM4E (0.48) ADORA1ALDH1A1ADORA2AMEN1KMT2A
SCHEMBL13914164 0.86 KDM4E (0.62) ADORA1ALDH1A1ADORA2AMEN1KMT2A
SCHEMBL13914305 0.84 ADORA1 (0.44) ADORA1ALDH1A1ADORA2AADORA2BADORA3
SCHEMBL13914223 0.84 KDM4E (0.58) ADORA1ALDH1A1ADORA2AMEN1KMT2A
SCHEMBL3357889 0.84 KDM4E (0.57) ADORA1ALDH1A1ADORA2AMEN1KMT2A
SCHEMBL6615431 0.84 KDM4E (0.47) ADORA1ALDH1A1ADORA2AMEN1KMT2A
SCHEMBL245321 0.84 ADORA2A (0.60) ADORA1ALDH1A1ADORA2AMEN1KMT2A
SCHEMBL13914288 0.84 IL4 (0.52) ADORA1ALDH1A1ADORA2AMEN1KMT2A
SCHEMBL13914136 0.82 ADORA1 (0.61) ADORA1ALDH1A1ADORA2AADORA2BADORA3
SCHEMBL13914324 0.82 PRF1 (0.56) ADORA1ALDH1A1ADORA2AADORA2BADORA3

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048641-A1 Use of Adenosine A1 and/or Dual A1/2ab Agonists for Production of Medicaments for Treating Diseases BAYER HEALTHCARE AG LAW AND PATENTS,PATENTS AND LICENSING (DE) 2010-02-25 US disclosed
EP-1812430-B1 SUBSTITUTED PHENYLAMINOTHIAZOLES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2009-04-15 EP disclosed
CN-101395153-A Use of adenosine A1-and/or bis A1/A2B-agonists for the preparation of medicaments for the treatment of diseases BAYER HEALTHCARE AG (DE) 2009-03-25 CN disclosed
US-7504421-B2 Substituted 2-thio-3,5-dicyano-4-aryl-6-aminopyridines and their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-17 US disclosed
US-7504421-B2 Substituted 2-thio-3,5-dicyano-4-aryl-6-aminopyridines and their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-17 US disclosed
US-7504421-B2 Substituted 2-thio-3,5-dicyano-4-aryl-6-aminopyridines and their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-17 US disclosed
EP-1994031-A1 USE OF ADENOSINE A1 AND/OR DUAL A1/A2B AGONISTS FOR PRODUCTION OF MEDICAMENTS FOR TREATING DISEASES Bayer HealthCare AG (DE) 2008-11-26 EP disclosed
US-20080269300-A1 Substituted Phenylaminothiazoles and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-30 US disclosed
CN-101056875-A Substituted phenylaminothiazoles and use thereof BAYER HEALTHCARE AG (DE) 2007-10-17 CN disclosed
WO-2007101531-A1 USE OF ADENOSINE A1 AND/OR DUAL A1/A2B AGONISTS FOR PRODUCTION OF MEDICAMENTS FOR TREATING DISEASES BAYER HEALTHCARE AG (DE) 2007-09-13 WO disclosed
EP-1812430-A1 SUBSTITUTED PHENYLAMINOTHIAZOLES AND USE THEREOF Bayer HealthCare AG (DE) 2007-08-01 EP disclosed
US-20060264432-A1 Substituted 2-thio-3,5-dicyano-4-aryl-6-aminopyridines and their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-11-23 US disclosed
US-7135486-B1 Adenosine A1, A2a, and A2b receptor ligands; coupling the 2-mercapto-3,5-dicyano-4-aryl-6-aminopyridine to a substituted alkyl or alkenyl compound; antiischemic agents; cardiovascular disorders BAYER AKTIENGESELISCHAFT (DE) 2006-11-14 US disclosed
WO-2006027142-A1 SUBSTITUTED PHENYLAMINOTHIAZOLES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2006-03-16 WO disclosed
EP-1240145-A2 SUBSTITUTED 2-THIO-3,5-DICYANO-4-ARYL-6-AMINOPYRIDINES AND THE USE THEREOF Bayer Aktiengesellschaft (DE) 2002-09-18 EP disclosed
WO-2001025210-A2 SUBSTITUTED 2-THIO-3,5-DICYANO-4-ARYL-6-AMINOPYRIDINES AND THE USE THEREOF AS ADENOSINE RECEPTOR LIGANDS BAYER AKTIENGESELLSCHAFT (DE) 2001-04-12 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-20100048641-A1 Use of Adenosine A1 and/or Dual A1/2ab Agonists for Production of Medicaments for Treating Diseases ADORA1, ADORA2B, ADORA2A ADORA1 1/4885ALDH1A1 312/4885ADORA2A 3/4885
US-20080269300-A1 Substituted Phenylaminothiazoles and Use Thereof PAH, TNNT2, VHL ADORA1 2721/4885ALDH1A1 739/4885ADORA2A 2391/4885
US-20060264432-A1 Substituted 2-thio-3,5-dicyano-4-aryl-6-aminopyridines and their use ADORA2B, ADORA2A, ADORA1 ADORA1 3/4885ALDH1A1 110/4885ADORA2A 2/4885

“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.