SCHEMBL6449111

SCHEMBL6449111

N#Cc1c(NCCc2ccc(Oc3nc(N)nc(-c4ccco4)c3C#N)cc2)nc(N)nc1-c1ccco1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.47
ADORA1 P30542 7/20 0.47
ADORA2B P29275 4/20 0.47
KDM4E B2RXH2 9/20 0.46
ALDH1A1 P00352 9/20 0.46
HPGD P15428 8/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 2/20 0.46
SMARCA2 P51531 1/20 0.46
GAA P10253 7/20 0.46
MAPT P10636 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
STAT6 P42226 1/20 0.46
HIF1A Q16665 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 2/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GLA P06280 3/20 0.43
MEN1 O00255 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
SCHEMBL5044568 0.89 ALDH1A1 (0.57) ADORA2AADORA1ADORA2BKDM4EALDH1A1
SCHEMBL6446426 0.86 ADORA2A (0.60) ADORA2AADORA1ADORA2BKDM4EALDH1A1
SCHEMBL5040175 0.85 ADORA2A (0.51) ADORA2AADORA1ADORA2BKDM4EALDH1A1
SCHEMBL7403374 0.83 ADORA2A (0.52) ADORA2AADORA1ADORA2BKDM4EALDH1A1
SCHEMBL6442943 0.80 ADORA2A (0.67) ADORA2AADORA1ADORA2BKDM4EALDH1A1
SCHEMBL5039809 0.80 ADORA2A (0.58) ADORA2AADORA1ADORA2BKDM4EALDH1A1
SCHEMBL6446625 0.79 ADORA2A (0.57) ADORA2AADORA1ADORA2BKDM4EALDH1A1
SCHEMBL6443198 0.79 ADORA2A (0.50) ADORA2AADORA1ADORA2BKDM4EALDH1A1
SCHEMBL6441991 0.78 ADORA2A (0.57) ADORA2AADORA1ADORA2BKDM4EALDH1A1
SCHEMBL6441049 0.78 ADORA2A (0.42) ADORA2AADORA1ADORA2BKDM4EALDH1A1

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 3 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
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 3/4885ADORA2B 2/4885

“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.