SCHEMBL6441503

SCHEMBL6441503

Cc1cccnc1COc1nc(N)nc(-c2ccc(Br)o2)c1C#N

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.42
ADORA1 P30542 10/20 0.42
SQOR Q9Y6N5 3/20 0.36
KCNH2 Q12809 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
MPO P05164 1/20 0.32
ADORA2B P29275 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32

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
SCHEMBL5131727 0.90 ADORA2A (0.52) ADORA2AADORA1SQORKCNH2TLR7
SCHEMBL5131348 0.88 ADORA2A (0.42) ADORA2AADORA1SQORKCNH2TLR7
SCHEMBL5040238 0.85 SQOR (0.37) ADORA2AADORA1SQORKCNH2TLR7
SCHEMBL5131947 0.84 ADORA1 (0.50) ADORA2AADORA1ADORA2B
SCHEMBL6443034 0.81 SQOR (0.41) ADORA2AADORA1SQORGABRA1GABRG2
SCHEMBL6442743 0.79 ADORA2A (0.35) ADORA2AADORA1ADORA2BGABRA1GABRG2
SCHEMBL6444489 0.78 ADORA2A (0.40) ADORA2AADORA1SQORMPOGABRA1
SCHEMBL5131292 0.77 ADORA2A (0.38) ADORA2AADORA1ADORA2B
SCHEMBL5139992 0.75 KDM4E (0.39) ADORA2AADORA1ADORA2B
Pyridine SCHEMBL7147970 0.75 ADORA1 (0.41) ADORA2AADORA1SQORADORA2B

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
EP-1261327-B1 ADENOSINE RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2005-04-27 EP 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
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
EP-1261327-B1 ADENOSINE RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2005-04-27 EP disclosed
CN-1438890-A Adenosine receptor modulators HOFFMANNLA ROCHE AG F (CH) 2003-08-27 CN 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
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

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 3/4885SQOR 798/4885

“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.