SCHEMBL245367

SCHEMBL245367

N#Cc1cnc(Sc2ccccc2)c(C#N)c1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.61
ALDH1A1 P00352 5/20 0.61
L3MBTL1 Q9Y468 5/20 0.61
ADORA1 P30542 5/20 0.52
CYP1A2 P05177 5/20 0.51
CYP2C9 P11712 5/20 0.51
CYP2C19 P33261 5/20 0.51
CYP3A4 P08684 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
GAA P10253 1/20 0.51
CYP2D6 P10635 1/20 0.51
HPGD P15428 1/20 0.51
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.43
PLK4 O00444 1/20 0.43
CHEK1 O14757 1/20 0.43
AURKA O14965 1/20 0.43
CHUK O15111 1/20 0.43
ROCK2 O75116 1/20 0.43

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 0.87 ADORA1 (0.52) KDM4EALDH1A1L3MBTL1ADORA1CYP1A2
SCHEMBL245394 0.84 ADORA1 (0.55) KDM4EALDH1A1L3MBTL1ADORA1CYP1A2
SCHEMBL27738558 0.76 ADORA1 (0.53) KDM4EALDH1A1ADORA1TDP1MEN1
SCHEMBL243099 0.75 KDR (0.47) KDM4EALDH1A1L3MBTL1ADORA1TDP1
SCHEMBL3548799 0.75 KDM4E (0.49) KDM4EALDH1A1L3MBTL1ADORA1CYP1A2
SCHEMBL245593 0.73 ADORA1 (0.64) KDM4EALDH1A1ADORA1HPGDMEN1
SCHEMBL7015403 0.72 SQOR (0.51) KDM4EALDH1A1ADORA1MEN1KMT2A
SCHEMBL13849107 0.71 KDM4E (0.52) KDM4EALDH1A1L3MBTL1ADORA1CYP1A2
SCHEMBL28089457 0.71 ALDH1A1 (0.70) KDM4EALDH1A1L3MBTL1CYP1A2CYP2C9
SCHEMBL3544024 0.70 L3MBTL1 (0.45) KDM4EALDH1A1L3MBTL1ADORA1CYP1A2

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 KDM4E 1801/4885ALDH1A1 1442/4885L3MBTL1 4208/4885
US-20160130230-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF QDPR, DPYD, DDC KDM4E 1801/4885ALDH1A1 1442/4885L3MBTL1 4208/4885

“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.