SCHEMBL3328078

SCHEMBL3328078

COc1cc(-c2c(C#N)c(N)nc(Sc3ccccc3)c2C#N)ccc1F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
NPSR1 Q6W5P4 3/20 0.60
RXFP1 Q9HBX9 1/20 0.60
ADORA1 P30542 11/20 0.56
KDM4E B2RXH2 7/20 0.49
HSD17B10 Q99714 4/20 0.47
LMNA P02545 4/20 0.47
HPGD P15428 4/20 0.47
USP2 O75604 3/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
ADORA2A P29274 2/20 0.47
MAPK1 P28482 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 2/20 0.46
ALOX15 P16050 1/20 0.46
S1PR4 O95977 1/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL251264 0.84 ADORA2A (0.45) MAPTNPSR1RXFP1ADORA1ALDH1A1
SCHEMBL3333404 0.82 MAPT (0.81) MAPTNPSR1RXFP1ADORA1KDM4E
SCHEMBL244863 0.81 ADORA1 (0.61) MAPTNPSR1RXFP1ADORA1KDM4E
SCHEMBL245478 0.80 ADORA1 (0.65) MAPTNPSR1RXFP1ADORA1KDM4E
SCHEMBL245593 0.79 ADORA1 (0.64) MAPTNPSR1RXFP1ADORA1KDM4E
SCHEMBL3339298 0.79 KDM4E (0.51) MAPTNPSR1RXFP1ADORA1KDM4E
SCHEMBL6462984 0.79 MAPT (0.59) MAPTNPSR1RXFP1ADORA1KDM4E
SCHEMBL13938147 0.76 ADORA1 (0.62) MAPTNPSR1RXFP1ADORA1KDM4E
SCHEMBL15286440 0.76 L3MBTL1 (0.53) MAPTNPSR1RXFP1ADORA1KDM4E
SCHEMBL15286658 0.76 ADORA1 (0.64) MAPTNPSR1RXFP1ADORA1KDM4E

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 10 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
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 MAPT 3714/4885NPSR1 3860/4885RXFP1 4386/4885
US-20160130230-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF QDPR, DPYD, DDC MAPT 3714/4885NPSR1 3860/4885RXFP1 4386/4885

“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.