SCHEMBL3359530

SCHEMBL3359530

CNC(=O)c1cccc(COc2nc(N)c(C#N)c(-c3ccccc3)c2C#N)c1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 16/20 0.63
ADORA2A P29274 2/20 0.46
MRGPRX4 Q96LA9 2/20 0.45
ADORA2B P29275 2/20 0.45
SQOR Q9Y6N5 1/20 0.44
ELAVL1 Q15717 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
SCHEMBL3361524 0.89 ADORA1 (0.65) ADORA1MRGPRX4ADORA2B
SCHEMBL3356574 0.89 ADORA1 (0.61) ADORA1ADORA2AMRGPRX4SQOR
SCHEMBL252231 0.89 ADORA1 (0.55) ADORA1MRGPRX4SQOR
SCHEMBL244652 0.86 ADORA1 (0.83) ADORA1
SCHEMBL244002 0.81 ADORA1 (0.79) ADORA1ADORA2AADORA2B
SCHEMBL3331988 0.80 ADORA1 (0.53) ADORA1MRGPRX4ADORA2BELAVL1
SCHEMBL26632998 0.78 SQOR (0.57) ADORA1ADORA2ASQOR
SCHEMBL3548045 0.78 ADORA3 (0.56) ADORA1ADORA2AADORA2BSQORELAVL1
SCHEMBL243305 0.77 ADORA1 (1.00) ADORA1
SCHEMBL3342712 0.77 ADORA1 (0.73) ADORA1

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 ADORA1 3010/4885ADORA2A 3158/4885MRGPRX4 2201/4885
US-20160130230-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF QDPR, DPYD, DDC ADORA1 3010/4885ADORA2A 3158/4885MRGPRX4 2201/4885

“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.