SCHEMBL13086149

SCHEMBL13086149

Nc1nc(NC2CCCCC2)nc2c1ncn2[C@H]1CC[C@@H](CO)O1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.65
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
ALB P02768 1/20 0.50
MAPK1 P28482 1/20 0.50
ADORA3 P0DMS8 2/20 0.49
ADORA1 P30542 2/20 0.49
ADORA2B P29275 1/20 0.49
CYP1A2 P05177 1/20 0.48

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
SCHEMBL22826756 0.87 ADORA2A (0.59) ADORA2AALDH1A1LMNAALBMAPK1
SCHEMBL2775140 0.82 ADORA2A (0.71) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL25712959 0.81 LMNA (0.59) ADORA2AALDH1A1LMNAALBMAPK1
SCHEMBL3239663 0.81 LMNA (0.59) ADORA2AALDH1A1LMNAALBMAPK1
SCHEMBL7435133 0.80 LMNA (0.58) ADORA2AALDH1A1LMNAALBMAPK1
SCHEMBL5040895 0.80 ADORA2A (0.98) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL13085938 0.80 ADORA2A (0.50) ADORA2AALDH1A1LMNAALBMAPK1
SCHEMBL5548925 0.79 LMNA (0.57) ALDH1A1LMNAALBMAPK1ADORA3
SCHEMBL9601706 0.79 LMNA (0.57) ADORA2AALDH1A1LMNAALBMAPK1
SCHEMBL22862138 0.79 LMNA (0.58) ADORA2AALDH1A1LMNAALBMAPK1

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 2 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 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 1/4885ALDH1A1 764/4885LMNA 752/4885

“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.