SCHEMBL245940

SCHEMBL245940

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 1/20 0.58
ADORA1 P30542 15/20 0.52
SLC6A3 Q01959 1/20 0.52
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
HSD17B10 Q99714 3/20 0.52
MEN1 O00255 2/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.52
HPGD P15428 2/20 0.52
USP2 O75604 1/20 0.52
TP53 P04637 1/20 0.52
ALOX15 P16050 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NPSR1 Q6W5P4 2/20 0.48
POLB P06746 1/20 0.48
TSHR P16473 1/20 0.48
PPARG P37231 1/20 0.48
SMAD3 P84022 1/20 0.48
NCOA2 Q15596 1/20 0.48

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
SCHEMBL30511861 1.00 PRF1 (0.58) PRF1ADORA1SLC6A3KDM4EALDH1A1
SCHEMBL245866 0.88 KDM4E (0.50) PRF1ADORA1KDM4EALDH1A1HSD17B10
SCHEMBL3303097 0.88 PRF1 (0.46) PRF1ADORA1SLC6A3KDM4EALDH1A1
SCHEMBL12534747 0.86 PRF1 (0.50) PRF1ADORA1SLC6A3KDM4EALDH1A1
SCHEMBL13929770 0.86 KDM4E (0.52) PRF1ADORA1SLC6A3KDM4EALDH1A1
SCHEMBL3338306 0.86 ADORA1 (0.60) ADORA1KDM4EALDH1A1HSD17B10MEN1
SCHEMBL12553020 0.86 ADORA1 (0.56) PRF1ADORA1SLC6A3KDM4EALDH1A1
SCHEMBL3359000 0.85 ADORA1 (0.55) PRF1ADORA1SLC6A3KDM4EADORA2B
SCHEMBL3600737 0.85 KDM4E (0.48) PRF1ADORA1KDM4EALDH1A1HSD17B10
SCHEMBL15169500 0.84 KDM4E (0.50) PRF1ADORA1KDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160130230-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-12 US disclosed
US-20160130230-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-12 US disclosed
US-9187428-B2 Substituted dicyanopyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 US disclosed
US-9187428-B2 Substituted dicyanopyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 US disclosed
US-9095582-B2 Substituted aryloxazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 US disclosed
US-9095582-B2 Substituted aryloxazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 US disclosed
EP-2556856-B1 6-Cyano-substituted Pyrido[2,3-d]pyrimidines as Adenosin Rezeptor Ligands for the Treatment of Cardiovascular Diseases BAYER IP GMBH (DE) 2015-02-25 EP disclosed
EP-2556831-B1 3,4-Dihydro-4-oxo-5-aryl-pyrido[2,3-d]pyrimidine-6-carbonitriles as Adenosin Receptor Ligands for Treatment of Cardiovascular Diseases BAYER IP GMBH (DE) 2015-01-21 EP disclosed
US-20140162981-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-12 US disclosed
US-20140162981-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-12 US 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
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 disclosed
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 disclosed
US-20060217373-A1 Substituted 2-thio-3,5-dicyano-4-phenyl-6-aminopyridines and the use of the same BAYER HEALTHCARE AG (DE) 2006-09-28 US disclosed
US-7109218-B2 Substituted 2-thio-3,5-dicyano-4-phenyl-6-aminopyridines and the use of the same BAYER HEALTHCARE AG (DE) 2006-09-19 US disclosed
WO-2006027142-A1 SUBSTITUTED PHENYLAMINOTHIAZOLES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2006-03-16 WO disclosed
US-20050227972-A1 Substituted 2-thio-3,5-dicyano-4-phenyl-6-aminopyridines and the use of the same BAYER HEALTHCARE AG (DE) 2005-10-13 US disclosed
EP-1455785-A1 SUBSTITUTED 2-THIO-3,5-DICYANO-4-PHENYL-6-AMINOPYRIDINES AND THE USE OF THE SAME Bayer HealthCare AG (DE) 2004-09-15 EP disclosed
WO-2003053441-A1 SUBSTITUTED 2-THIO-3,5-DICYANO-4-PHENYL-6-AMINOPYRIDINES AND THE USE OF THE SAME BAYER HEALTHCARE AG (DE) 2003-07-03 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-20050227972-A1 Substituted 2-thio-3,5-dicyano-4-phenyl-6-aminopyridines and the use of the same TPMT, QDPR, TUBB6 PRF1 2343/4885ADORA1 998/4885SLC6A3 215/4885
US-20060217373-A1 Substituted 2-thio-3,5-dicyano-4-phenyl-6-aminopyridines and the use of the same TPMT, QDPR, TUBB6 PRF1 2343/4885ADORA1 998/4885SLC6A3 215/4885
US-20160130230-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF QDPR, DPYD, DDC PRF1 2680/4885ADORA1 3010/4885SLC6A3 1260/4885
US-20140162981-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE CYP4X1, AHR, AGXT PRF1 4579/4885ADORA1 2450/4885SLC6A3 2093/4885

“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.