SCHEMBL245394

SCHEMBL245394

N#Cc1cnc(Sc2ccccc2)c(C#N)c1-c1ccc(OCCO)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 10/20 0.55
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 4/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
PRF1 P14222 1/20 0.43
SLC6A3 Q01959 1/20 0.42
RECQL P46063 1/20 0.39
HPGD P15428 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL245867 0.85 ADORA1 (0.52) ADORA1ALDH1A1KDM4EL3MBTL1CYP1A2
SCHEMBL245367 0.84 KDM4E (0.61) ADORA1ALDH1A1KDM4EL3MBTL1CYP1A2
SCHEMBL3598171 0.82 ADORA1 (0.50) ADORA1ALDH1A1KDM4EL3MBTL1PRF1
SCHEMBL241556 0.81 MAPT (0.59) ADORA1ALDH1A1KDM4EL3MBTL1PRF1
SCHEMBL3605617 0.78 PRF1 (0.44) ADORA1ALDH1A1KDM4EL3MBTL1PRF1
SCHEMBL13879906 0.78 ADORA1 (0.50) ADORA1ALDH1A1KDM4EL3MBTL1PRF1
SCHEMBL25361792 0.78 ADORA1 (0.65) ADORA1ALDH1A1KDM4EL3MBTL1SLC6A3
SCHEMBL243984 0.77 ADORA1 (0.49) ADORA1ALDH1A1KDM4EL3MBTL1PRF1
SCHEMBL26009945 0.77 ADORA1 (0.57) ADORA1ALDH1A1KDM4EL3MBTL1SLC6A3
SCHEMBL25360369 0.77 ADORA1 (0.52) ADORA1ALDH1A1KDM4EL3MBTL1PRF1

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 12 patents. 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-20130210795-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-15 US disclosed
US-20130210795-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-15 US disclosed
US-20130210795-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-15 US disclosed
EP-2588454-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF Bayer Intellectual Property GmbH (DE) 2013-05-08 EP disclosed
WO-2012000945-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-05 WO disclosed
WO-2012000945-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-05 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 (2 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-20130210795-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF QDPR, DPYD, DDC ADORA1 3010/4885ALDH1A1 1442/4885KDM4E 1801/4885
US-20160130230-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF QDPR, DPYD, DDC ADORA1 3010/4885ALDH1A1 1442/4885KDM4E 1801/4885

“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.