SCHEMBL12943400

SCHEMBL12943400

Nc1nc(C2(O)CC3CCC2C3)nc2c1ncn2CO[C@H](C(=O)NC1CC1)C(O)CO

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ VCP P55072 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ PDE3A Q14432 1/20 0.31
▸ ADORA2A P29274 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
SCHEMBL12943360 0.88 MEN1 (0.34) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL13741689 0.85 ADORA2A (0.32) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL13645784 0.82 MEN1 (0.33) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL12374837 0.82 MEN1 (0.33) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL12375377 0.82 MEN1 (0.33) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL14393325 0.81 SARS1 (0.40) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL12374009 0.81 SARS1 (0.40) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL12375378 0.81 MEN1 (0.32) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL12375010 0.81 MEN1 (0.32) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL12943362 0.80 MEN1 (0.33) MEN1ALDH1A1LMNACYP3A4NFKB1

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
US-7875595-B2 5-[6-Amino-2-(2-hydroxy-adamantan-2-ylethynyl)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid cyclopropylamide for the treatment of inflammatory activity in mammalian tissue; A2A adenosine receptor agonist; autoimmune stimulation, allergic diseases, skin diseases, infectious diseases UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-01-25 — — US disclosed
US-20090298788-A1 2-POLYCYCLIC PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION AND ADENOSINE THERAPEUTICS, L.L.C. 2009-12-03 — — US disclosed
US-7576069-B2 2-polycyclic propynyl adenosine analogs having A2A agonist activity UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2009-08-18 — — 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-20090298788-A1 2-POLYCYCLIC PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY ADORA2A, ADORA3, ADORA1 MEN1 1771/4885ALDH1A1 699/4885LMNA 1401/4885

“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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