SCHEMBL3263261

SCHEMBL3263261

CCCCCc1c(C#N)c(N)nc(S)c1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
KDM4E B2RXH2 12/20 0.45
HPGD P15428 6/20 0.45
NPSR1 Q6W5P4 2/20 0.45
RECQL P46063 2/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 6/20 0.37
HSD17B10 Q99714 3/20 0.36
POLB P06746 2/20 0.36
GAA P10253 2/20 0.36
GLA P06280 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 2/20 0.34

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
SCHEMBL4206914 0.92 MAPT (0.54) MAPTKDM4EHPGDNPSR1RECQL
SCHEMBL19734888 0.82 KDM4E (0.44) MAPTKDM4EHPGDNPSR1RECQL
SCHEMBL3654974 0.81 MAPT (0.48) MAPTKDM4EHPGDNPSR1RECQL
SCHEMBL6255126 0.78 RECQL (0.37) MAPTKDM4EHPGDNPSR1RECQL
SCHEMBL8317724 0.76 ALDH1A1 (0.57) MAPTKDM4EHPGDNPSR1RECQL
SCHEMBL6265005 0.73 TLR8 (0.64) MAPTKDM4EHPGDNPSR1ALDH1A1
SCHEMBL4658289 0.71 KCNH2 (0.38) MAPTKDM4EHPGDNPSR1RECQL
SCHEMBL1539841 0.71 KDM4E (0.43) MAPTKDM4EHPGDNPSR1RECQL
SCHEMBL416757 0.70 HPGD (0.54) MAPTKDM4EHPGDNPSR1MAPK1
SCHEMBL21444633 0.70 MAPK1 (0.53) MAPTKDM4EHPGDNPSR1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883500-B2 Method of preparing adenosine-resistant anti-tumor T lymphocytes for adoptive immunotherapy NORTHEASTERN UNIVERSITY (US) 2014-11-11 US disclosed
US-20140155401-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-05 US disclosed
US-8703934-B2 Substituted 4-amino-3,5-dicyano-2-thiopyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-04-22 US disclosed
US-8653109-B2 Substituted bipyridine derivatives and their use as adenosine receptor ligands BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-18 US disclosed
EP-2099788-B1 CYCLICALLY SUBSTITUTED 3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF BAYER IP GMBH (DE) 2013-03-06 EP disclosed
US-8304412-B2 Cyclically substituted 3,5-dicyano-2-thiopyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-06 US disclosed
EP-2099781-B1 SUBSTITUTED 4-AMINO-3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF BAYER IP GMBH (DE) 2012-10-24 EP disclosed
US-7825255-B2 Adenosine receptor selective modulators BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-02 US disclosed
WO-2010065959-A1 METHOD OF PREPARING ADENOSINE-RESISTANT ANTI-TUMOR T LYMPHOCYTES FOR ADOPTIVE IMMUNOTHERAPY NORTHEASTERN UNIVERSITY (US) 2010-06-10 WO disclosed
US-20100093728-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-15 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
EP-1377569-A1 SUBSTITUTED 2-THIO-3,5-DICYANO-4-PHENYL-6-AMINOPYRIDINES WITH ADENOSINE RECEPTOR-BINDING ACTIVITY AND THEIR USE AS CARDIOVASCULAR PREPARATIONS Bayer HealthCare AG (DE) 2004-01-07 EP disclosed
US-20030232860-A1 Medicine comprising dicyanopyridine derivative ASTELLAS PHARMA INC. (JP) 2003-12-18 US disclosed
EP-1302463-A1 MEDICINE COMPRISING DICYANOPYRIDINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-04-16 EP disclosed
CN-1407971-A Substituted 2-thio-3,5-dicyano-4-aryl-6-aminopyridines and the use thereof BAYER AG (DE) 2003-04-02 CN 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
WO-2002079195-A1 SUBSTITUTED 2-THIO-3,5-DICYANO-4-PHENYL-6-AMINOPYRIDINES WITH ADENOSINE RECEPTOR-BINDING ACTIVITY AND THEIR USE AS CARDIOVASCULAR PREPARATIONS BAYER AKTIENGESELLSCHAFT (DE) 2002-10-10 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 (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-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 MAPT 4422/4885KDM4E 2921/4885HPGD 2393/4885
US-20030232860-A1 Medicine comprising dicyanopyridine derivative KCNN3, KCNN2, KCNN1 MAPT 1220/4885KDM4E 369/4885HPGD 697/4885
US-20100093728-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 MAPT 4459/4885KDM4E 4037/4885HPGD 1064/4885
US-20140155401-A1 NOVEL SUBSTITUTED BIPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 MAPT 4459/4885KDM4E 4037/4885HPGD 1064/4885

“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.