SCHEMBL5044504

SCHEMBL5044504

Nc1nc(SCCc2ccccn2)c(Cl)c(-c2ccco2)n1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 0.48
ADORA1 P30542 12/20 0.48
ADORA3 P0DMS8 6/20 0.48
ADORA2B P29275 5/20 0.48
METAP1 P53582 1/20 0.39

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
SCHEMBL7144880 0.87 ADORA2A (0.47) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5037036 0.87 ADORA2A (0.48) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5039866 0.87 ADORA2A (0.48) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5046699 0.84 ADORA1 (0.57) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5036755 0.77 ALDH1A1 (0.54) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7149520 0.76 ADORA2A (0.51) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7147873 0.76 ADORA2A (0.57) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7146794 0.73 ADORA2A (0.49) ADORA2AADORA1ADORA2B
SCHEMBL5039609 0.73 ADORA1 (0.71) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7892763 0.72 ADORA2A (0.37) ADORA2AADORA1ADORA3ADORA2B

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
JP-4064671-B2 2008-03-19 JP claimed
JP-2003523380-A 2003-08-05 JP claimed
US-6586441-B2 2-Amino-6-benzylsulfanyl-4-thiophen-2-yl-pyridine-3,5-dicarbo -nitrile as an examplary preferred compound; Alzheimer's and Parkinson's diseases; neuroprotectors; schizophrenia, analgesics; anxiolytic agents; respiratory disorders HOFFMAN-LA ROCHE INC. 2003-07-01 US claimed
EP-1261327-A2 ADENOSINE RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2002-12-04 EP claimed
US-20010027196-A1 Adenosine receptor ligands and their use in the treatment of disease F. HOFFMANN-LA ROCHE AG (CH) 2001-10-04 US claimed
WO-2001062233-A2 ADENOSINE RECEPTOR MODULATORS F. HOFFMANN LA ROCHE AG (CH) 2001-08-30 WO claimed
US-6586441-B2 2-Amino-6-benzylsulfanyl-4-thiophen-2-yl-pyridine-3,5-dicarbo -nitrile as an examplary preferred compound; Alzheimer's and Parkinson's diseases; neuroprotectors; schizophrenia, analgesics; anxiolytic agents; respiratory disorders HOFFMAN-LA ROCHE INC. 2003-07-01 US disclosed
EP-1261327-A2 ADENOSINE RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2002-12-04 EP disclosed
US-20010027196-A1 Adenosine receptor ligands and their use in the treatment of disease F. HOFFMANN-LA ROCHE AG (CH) 2001-10-04 US disclosed
WO-2001062233-A2 ADENOSINE RECEPTOR MODULATORS F. HOFFMANN LA ROCHE AG (CH) 2001-08-30 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 (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-20010027196-A1 Adenosine receptor ligands and their use in the treatment of disease ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885ADORA1 3/4885ADORA3 6/4885

“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.