SCHEMBL14393622

SCHEMBL14393622

Nc1nc(CC2CCN(C(=O)Oc3cccc([N+](=O)[O-])c3)CC2)nc2c1ncn2CO[C@H](C(=O)NC1CC1)[C@H](O)CO

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.31
▸ ADORA2A P29274 1/20 0.30
▸ CCNE2 O96020 1/20 0.30
▸ CCNE1 P24864 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ NCOA1 Q15788 1/20 0.30
▸ NCOA3 Q9Y6Q9 1/20 0.30

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
SCHEMBL14393604 0.90 MGLL (0.33) MGLLADORA2A
SCHEMBL13625945 0.90 MGLL (0.33) MGLLADORA2A
SCHEMBL13625607 0.89 ADORA2A (0.43) ADORA2A
SCHEMBL14393445 0.87 ADORA2A (0.33) ADORA2A
SCHEMBL14393332 0.87 ADORA2A (0.32) ADORA2A
SCHEMBL13625741 0.87 ADORA2A (0.32) ADORA2A
SCHEMBL13625679 0.87 ADORA2A (0.33) ADORA2A
SCHEMBL14393331 0.87 ADORA2A (0.32) ADORA2A
SCHEMBL14393617 0.86 GRIN2B (0.32) ADORA2AHTT
SCHEMBL13625864 0.86 ADORA2A (0.33) ADORA2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070270373-A1 Substituted aryl piperidinylalkynyladenosines as A2AR agonists ADENOSINE THERAPEUTICS, LLC 2007-11-22 — — 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-20070270373-A1 Substituted aryl piperidinylalkynyladenosines as A2AR agonists ADORA2A, ADORA1, ADORA3 MGLL 2377/4885ADORA2A 1/4885CCNE2 2216/4885

“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.

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