SCHEMBL5041646

SCHEMBL5041646

N#Cc1c(SCCCc2ccccc2)nc(N)nc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 19/20 0.57
ADORA2A P29274 18/20 0.57
ADORA3 P0DMS8 1/20 0.56
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
ADORA2B P29275 3/20 0.47

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
SCHEMBL6441334 0.94 ADORA1 (0.61) ADORA1ADORA2AADORA3MEN1ALDH1A1
SCHEMBL6440806 0.86 ADORA1 (0.58) ADORA1ADORA2AADORA3MEN1ALDH1A1
SCHEMBL6440883 0.85 ADORA1 (0.67) ADORA1ADORA2AADORA3MEN1ALDH1A1
SCHEMBL5046570 0.84 ADORA1 (0.58) ADORA1ADORA2AADORA3MEN1ALDH1A1
SCHEMBL6446335 0.82 ADORA1 (0.60) ADORA1ADORA2AADORA3MEN1ALDH1A1
SCHEMBL6444715 0.81 ALDH1A1 (0.65) ADORA1ADORA2AADORA3MEN1ALDH1A1
SCHEMBL6442931 0.81 ADORA1 (0.57) ADORA1ADORA2AADORA3MEN1ALDH1A1
SCHEMBL6441705 0.80 ADORA1 (0.59) ADORA1ADORA2AADORA3MEN1ALDH1A1
SCHEMBL5046619 0.78 ADORA2A (0.61) ADORA1ADORA2AADORA3MEN1ALDH1A1
SCHEMBL6442594 0.76 ADORA1 (0.71) ADORA1ADORA2AADORA3MAPTADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4064671-B2 2008-03-19 JP claimed
EP-1261327-B1 ADENOSINE RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2005-04-27 EP 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
EP-1261327-B1 ADENOSINE RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2005-04-27 EP disclosed
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 ADORA1 3/4885ADORA2A 1/4885ADORA3 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.