SCHEMBL3730727

SCHEMBL3730727

N#Cc1c(NCCC(F)(F)F)nc(SCc2csc(-c3ccc(Cl)cc3)n2)c(C#N)c1-c1ccc(OCCO)cc1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 20/20 0.72
SLC6A3 Q01959 1/20 0.72

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
SCHEMBL3732534 0.92 ADORA1 (0.74) ADORA1SLC6A3
SCHEMBL3728943 0.92 ADORA1 (0.74) ADORA1SLC6A3
SCHEMBL13227836 0.92 ADORA1 (0.65) ADORA1SLC6A3
SCHEMBL3730677 0.91 ADORA1 (0.74) ADORA1SLC6A3
SCHEMBL3739819 0.90 ADORA1 (0.73) ADORA1SLC6A3
SCHEMBL3730610 0.90 ADORA1 (0.78) ADORA1SLC6A3
SCHEMBL3727858 0.89 ADORA1 (0.71) ADORA1SLC6A3
SCHEMBL3735407 0.89 ADORA1 (0.71) ADORA1SLC6A3
SCHEMBL3726499 0.89 ADORA1 (0.73) ADORA1SLC6A3
SCHEMBL3726291 0.88 ADORA1 (0.79) ADORA1SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2743270-B1 Alkylamino-substituted dicyanopyridines and their amino acid ester prodrugs BAYER IP GMBH (DE) 2016-12-21 EP disclosed
EP-2743270-B1 Alkylamino-substituted dicyanopyridines and their amino acid ester prodrugs BAYER IP GMBH (DE) 2016-12-21 EP disclosed
US-20140296515-A1 ALKYLAMINE-SUBSTITUTED DICYANOPYRIDINE AND AMINO ACID ESTER PRODRUGS THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2014-10-02 US disclosed
US-20140296515-A1 ALKYLAMINE-SUBSTITUTED DICYANOPYRIDINE AND AMINO ACID ESTER PRODRUGS THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2014-10-02 US disclosed
US-8772498-B2 Alkylamine-substituted dicyanopyridine and amino acid ester prodrugs thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-08 US disclosed
US-8772498-B2 Alkylamine-substituted dicyanopyridine and amino acid ester prodrugs thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-08 US disclosed
EP-2743270-A1 Alkylamino-substituted dicyanopyridines and their amino acid ester prodrugs Bayer Intellectual Property GmbH (DE) 2014-06-18 EP disclosed
EP-2743270-A1 Alkylamino-substituted dicyanopyridines and their amino acid ester prodrugs Bayer Intellectual Property GmbH (DE) 2014-06-18 EP disclosed
EP-2391620-B1 ALKYLAMINE-SUBSTITUTED DICYANOPYRIDINE AND AMINO ACID ESTER PRODRUGS THEREOF BAYER IP GMBH (DE) 2014-05-07 EP disclosed
EP-2391620-B1 ALKYLAMINE-SUBSTITUTED DICYANOPYRIDINE AND AMINO ACID ESTER PRODRUGS THEREOF BAYER IP GMBH (DE) 2014-05-07 EP disclosed
US-20130267700-A1 ALKYLAMINE-SUBSTITUTED DICYANOPYRIDINE AND AMINO ACID ESTER PRODRUGS THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-10 US disclosed
US-20130267700-A1 ALKYLAMINE-SUBSTITUTED DICYANOPYRIDINE AND AMINO ACID ESTER PRODRUGS THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-10 US disclosed
US-8420825-B2 Alkylamino-substituted dicyanopyridines and their amino acid ester prodrugs BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-16 US disclosed
US-8420825-B2 Alkylamino-substituted dicyanopyridines and their amino acid ester prodrugs BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-16 US disclosed
WO-2010086101-A1 ALKYLAMINE-SUBSTITUTED DICYANOPYRIDINE AND AMINO ACID ESTER PRODRUGS THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 WO disclosed
US-20100197609-A1 ALKYLAMINO-SUBSTITUTED DICYANOPYRIDINES AND THEIR AMINO ACID ESTER PRODRUGS Bayer Schering Pharma (DE) 2010-08-05 US disclosed
US-20100197609-A1 ALKYLAMINO-SUBSTITUTED DICYANOPYRIDINES AND THEIR AMINO ACID ESTER PRODRUGS Bayer Schering Pharma (DE) 2010-08-05 US 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-20130267700-A1 ALKYLAMINE-SUBSTITUTED DICYANOPYRIDINE AND AMINO ACID ESTER PRODRUGS THEREOF AADAT, DDC, DNPEP ADORA1 402/4885SLC6A3 399/4885
US-20100197609-A1 ALKYLAMINO-SUBSTITUTED DICYANOPYRIDINES AND THEIR AMINO ACID ESTER PRODRUGS DNPEP, DDC, AADAC ADORA1 755/4885SLC6A3 687/4885
US-20140296515-A1 ALKYLAMINE-SUBSTITUTED DICYANOPYRIDINE AND AMINO ACID ESTER PRODRUGS THEREOF AADAT, DDC, DNPEP ADORA1 402/4885SLC6A3 399/4885

“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.