SCHEMBL12375030

SCHEMBL12375030

CCCC1CCC(O)(C#Cc2nc(N)c3ncn(COC(C(=O)NC4CC4)C(O)CO)c3n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.34
▸ ADORA3 P0DMS8 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ VCP P55072 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HIF1A Q16665 1/20 0.32

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
SCHEMBL12373558 0.94 ADORA2A (0.35) ADORA2AADORA3MEN1ALDH1A1LMNA
SCHEMBL12374838 0.88 CDK1 (0.34) ADORA2AADORA3
SCHEMBL3478694 0.86 ADORA3 (0.37) ADORA2AADORA3
SCHEMBL10146196 0.84 ADORA3 (0.36) ADORA2AADORA3
SCHEMBL13777775 0.81 ADORA3 (0.39) ADORA2AADORA3
SCHEMBL13741689 0.81 ADORA2A (0.32) ADORA2AADORA3MEN1ALDH1A1LMNA
SCHEMBL13777738 0.79 ADORA3 (0.36) ADORA2AADORA3
SCHEMBL3478723 0.79 ADORA3 (0.36) ADORA2AADORA3
SCHEMBL3478710 0.79 ADORA3 (0.36) ADORA2AADORA3
SCHEMBL10146742 0.79 ADORA3 (0.36) ADORA2AADORA3

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-7989431-B2 4-{3-[6-Amino-9-(5-cyclopropylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-yl]-prop-2-ynyl}-cyclohexanecarboxylic acid methyl ester; for inflammation, such as organ, tissue or cell transplantation, angioplasty (PCTA), inflammation following ischemia/reperfusion, or grafting UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-08-02 — — US disclosed
US-20090253647-A1 2-PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION AND ADENOSINE THERAPEUTICS, L.L.C. 2009-10-08 — — 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-20090253647-A1 2-PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA3 2/4885MEN1 2350/4885

“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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