SCHEMBL3333404

SCHEMBL3333404

COc1ccc(-c2c(C#N)c(N)nc(Sc3ccccc3)c2C#N)cc1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.81
NPSR1 Q6W5P4 3/20 0.81
RXFP1 Q9HBX9 2/20 0.81
ADORA1 P30542 15/20 0.64
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
ADORA3 P0DMS8 1/20 0.56
ADORA2A P29274 1/20 0.56
ADORA2B P29275 1/20 0.56
RET P07949 1/20 0.55
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.54
KMT2A Q03164 1/20 0.54
ELAVL1 Q15717 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
SCHEMBL4034485 0.87 MAPT (0.63) MAPTNPSR1RXFP1ADORA1KDM4E
SCHEMBL245593 0.87 ADORA1 (0.64) MAPTNPSR1RXFP1ADORA1KDM4E
SCHEMBL241556 0.84 MAPT (0.59) MAPTNPSR1RXFP1ADORA1KDM4E
SCHEMBL244863 0.84 ADORA1 (0.61) MAPTNPSR1RXFP1ADORA1KDM4E
SCHEMBL13938147 0.84 ADORA1 (0.62) MAPTNPSR1RXFP1ADORA1KDM4E
SCHEMBL13913748 0.83 ADORA1 (0.74) MAPTNPSR1RXFP1ADORA1KDM4E
SCHEMBL3328078 0.82 MAPT (0.60) MAPTNPSR1RXFP1ADORA1KDM4E
SCHEMBL15286658 0.81 ADORA1 (0.64) MAPTNPSR1RXFP1ADORA1KDM4E
SCHEMBL28185531 0.80 KDM4E (0.73) MAPTNPSR1RXFP1ADORA1KDM4E
SCHEMBL6462984 0.80 MAPT (0.59) 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 7 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-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
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.