SCHEMBL241556

SCHEMBL241556

N#Cc1c(N)nc(Sc2ccccc2)c(C#N)c1-c1ccc(OCCO)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
NPSR1 Q6W5P4 3/20 0.59
RXFP1 Q9HBX9 2/20 0.59
ADORA1 P30542 14/20 0.58
SLC6A3 Q01959 1/20 0.58
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 3/20 0.56
HSD17B10 Q99714 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HPGD P15428 2/20 0.56
USP2 O75604 1/20 0.56
TP53 P04637 1/20 0.56
ALOX15 P16050 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ADORA2B P29275 3/20 0.53
POLB P06746 1/20 0.52
TSHR P16473 1/20 0.52
PPARG P37231 1/20 0.52
SMAD3 P84022 1/20 0.52

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
SCHEMBL3598171 0.90 ADORA1 (0.50) MAPTNPSR1RXFP1ADORA1SLC6A3
SCHEMBL12535078 0.88 ADORA1 (0.47) MAPTNPSR1RXFP1ADORA1SLC6A3
SCHEMBL12503198 0.84 ADORA1 (0.67) MAPTNPSR1RXFP1ADORA1SLC6A3
SCHEMBL3333404 0.84 MAPT (0.81) MAPTNPSR1RXFP1ADORA1KDM4E
SCHEMBL245593 0.83 ADORA1 (0.64) MAPTNPSR1RXFP1ADORA1KDM4E
SCHEMBL3605617 0.83 PRF1 (0.44) MAPTNPSR1RXFP1ADORA1SLC6A3
SCHEMBL13879906 0.83 ADORA1 (0.50) MAPTNPSR1RXFP1ADORA1SLC6A3
SCHEMBL26010418 0.83 ADORA1 (0.79) MAPTADORA1SLC6A3KDM4EALDH1A1
SCHEMBL13938147 0.83 ADORA1 (0.62) MAPTNPSR1RXFP1ADORA1KDM4E
SCHEMBL245394 0.81 ADORA1 (0.55) MAPTNPSR1RXFP1ADORA1SLC6A3

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 39 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-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-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
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-2009080197-A1 SUBSTITUTED PYRROLO[2, 3-B] AND PYRAZOLO[3, 4-B] PYRIDINES FOR USE AS ADENOSINE RECEPTOR LIGANDS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 WO disclosed
WO-2009080197-A1 SUBSTITUTED PYRROLO[2, 3-B] AND PYRAZOLO[3, 4-B] PYRIDINES FOR USE AS ADENOSINE RECEPTOR LIGANDS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 WO disclosed
EP-1812430-B1 SUBSTITUTED PHENYLAMINOTHIAZOLES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2009-04-15 EP disclosed
WO-2009015776-A1 SUBSTITUTED ARYLOXAZOLES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-05 WO disclosed
WO-2009015776-A1 SUBSTITUTED ARYLOXAZOLES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-05 WO 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
US-20080269300-A1 Substituted Phenylaminothiazoles and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-30 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
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

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-20080269300-A1 Substituted Phenylaminothiazoles and Use Thereof PAH, TNNT2, VHL MAPT 1149/4885NPSR1 2236/4885RXFP1 3874/4885
US-20160130230-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF QDPR, DPYD, DDC MAPT 3714/4885NPSR1 3860/4885RXFP1 4386/4885
US-20140162981-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE CYP4X1, AHR, AGXT MAPT 3893/4885NPSR1 1745/4885RXFP1 2902/4885

“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.