SCHEMBL2777801

SCHEMBL2777801

CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(NC3CCCCC3)nc21

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.78
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
ADORA2B P29275 3/20 0.60
ADORA1 P30542 3/20 0.60
ADORA3 P0DMS8 2/20 0.60

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
SCHEMBL5040895 0.89 ADORA2A (0.98) ADORA2AADORA2BADORA1ADORA3
SCHEMBL14906451 0.85 ADORA2A (0.80) ADORA2AMEN1KMT2AADORA2BADORA1
SCHEMBL9352985 0.83 MEN1 (0.77) ADORA2AMEN1KMT2AADORA2BADORA1
SCHEMBL9353007 0.82 MEN1 (0.76) ADORA2AMEN1KMT2AADORA2BADORA1
SCHEMBL9352997 0.82 MEN1 (0.76) ADORA2AMEN1KMT2AADORA2BADORA1
SCHEMBL1527211 0.82 ADORA2A (0.66) ADORA2AADORA2BADORA1ADORA3
SCHEMBL1527213 0.82 ADORA2A (0.66) ADORA2AADORA2BADORA1ADORA3
SCHEMBL12150807 0.82 ADORA2A (0.66) ADORA2AADORA2BADORA1ADORA3
SCHEMBL12031300 0.82 ADORA2A (0.66) ADORA2AADORA2BADORA1ADORA3
SCHEMBL12300482 0.82 ADORA2A (0.66) ADORA2AADORA2BADORA1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820811-B2 Pro-drugs of adenosine receptor agonists CBT DEVELOPMENT LIMITED (GB) 2010-10-26 US claimed
US-20080009461-A1 Therapeutic compounds BIOVITRUM AB (SE) 2008-01-10 US claimed
US-7820811-B2 Pro-drugs of adenosine receptor agonists CBT DEVELOPMENT LIMITED (GB) 2010-10-26 US disclosed
US-7820811-B2 Pro-drugs of adenosine receptor agonists CBT DEVELOPMENT LIMITED (GB) 2010-10-26 US disclosed
US-7820811-B2 Pro-drugs of adenosine receptor agonists CBT DEVELOPMENT LIMITED (GB) 2010-10-26 US disclosed
US-20080009461-A1 Therapeutic compounds BIOVITRUM AB (SE) 2008-01-10 US disclosed
US-20080009461-A1 Therapeutic compounds BIOVITRUM AB (SE) 2008-01-10 US disclosed
US-20080009461-A1 Therapeutic compounds BIOVITRUM AB (SE) 2008-01-10 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-20080009461-A1 Therapeutic compounds ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885MEN1 2737/4885KMT2A 3377/4885

“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.