SCHEMBL3554945

SCHEMBL3554945

CC(=O)Nc1ccc(-c2c(C#N)c(N)nc(OCc3cccnc3)c2C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.52
ADORA3 P0DMS8 1/20 0.52
ADORA2B P29275 1/20 0.52
ADORA1 P30542 5/20 0.52
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
ROCK2 O75116 1/20 0.45
CSF1R P07333 1/20 0.45
MAPK1 P28482 1/20 0.45
MAPK8 P45983 1/20 0.45
MAPK9 P45984 1/20 0.45
CSNK1D P48730 1/20 0.45
MAPK10 P53779 1/20 0.45
PRKD2 Q9BZL6 1/20 0.45
GHSR Q92847 1/20 0.44
ATR Q13535 1/20 0.44
SQOR Q9Y6N5 1/20 0.44
GSK3B P49841 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HTT P42858 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
SCHEMBL3548045 0.90 ADORA3 (0.56) ADORA2AADORA3ADORA2BADORA1MAPK8
SCHEMBL3545741 0.83 RXFP1 (0.55) ADORA2AADORA3ADORA1MAPK1SQOR
SCHEMBL11924394 0.83 ADORA2A (0.53) ADORA2AADORA3ADORA2BADORA1ROCK2
SCHEMBL26010519 0.80 ADORA1 (0.52) ADORA2AADORA1ROCK2CSF1RMAPK1
SCHEMBL7017972 0.76 ALDH1A1 (0.49) ADORA2AADORA3ADORA1ROCK2CSF1R
SCHEMBL11924430 0.75 PDE4A (0.52) ADORA2AADORA3ADORA2BROCK2CSF1R
SCHEMBL11924429 0.74 PDE4A (0.51) ADORA2AADORA3ADORA2BMAPK10ALDH1A1
SCHEMBL7018457 0.74 ALDH1A1 (0.64) ADORA2AADORA3ADORA1ROCK2CSF1R
SCHEMBL7013023 0.73 ADORA3 (0.65) ADORA2AADORA3ADORA2BADORA1MAPK1
SCHEMBL4306407 0.72 ADORA3 (0.64) ADORA2AADORA3ADORA2BADORA1MAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855219-B2 Substituted 2-oxy-3,5-dicyano-4aryl-6-aminopyridines and use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-21 US disclosed
US-7855219-B2 Substituted 2-oxy-3,5-dicyano-4aryl-6-aminopyridines and use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-21 US disclosed
US-7855219-B2 Substituted 2-oxy-3,5-dicyano-4aryl-6-aminopyridines and use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-21 US disclosed
US-20050261502-A1 Substituted 2-oxy-3,5-dicyano-4-aryl-6-aminopyridines and use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-11-24 US 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 (1 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-20050261502-A1 Substituted 2-oxy-3,5-dicyano-4-aryl-6-aminopyridines and use thereof ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA3 2/4885ADORA2B 4/4885

“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.