SCHEMBL6443545

SCHEMBL6443545

N#Cc1c(NCc2ccccc2)nc(N)nc1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 18/20 0.63
ADORA2A P29274 17/20 0.63
CHUK O15111 1/20 0.54
APP P05067 1/20 0.52
ADORA2B P29275 3/20 0.51

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
SCHEMBL6443028 0.87 ADORA1 (0.60) ADORA1ADORA2AAPPADORA2B
SCHEMBL6443635 0.85 ADORA1 (0.57) ADORA1ADORA2AADORA2B
SCHEMBL6445919 0.84 HIF1A (0.51) ADORA1ADORA2ACHUKAPP
SCHEMBL6441963 0.83 ADORA1 (0.62) ADORA1ADORA2ACHUKAPPADORA2B
SCHEMBL5040171 0.83 ADORA2A (0.62) ADORA1ADORA2ACHUKAPPADORA2B
SCHEMBL6441739 0.83 ADORA1 (0.61) ADORA1ADORA2AAPPADORA2B
SCHEMBL6446302 0.82 ADORA1 (0.69) ADORA1ADORA2AADORA2B
SCHEMBL6444971 0.81 ADORA2A (0.64) ADORA1ADORA2ACHUKAPP
SCHEMBL5040104 0.81 HTT (0.47) ADORA1ADORA2ACHUKAPP
SCHEMBL6446985 0.80 HTT (0.47) ADORA1ADORA2ACHUKAPPADORA2B

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 6 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 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
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 1/4885CHUK 1445/4885

“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.