SCHEMBL14325218

SCHEMBL14325218

COC(=O)C1SC(n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)C(O)C1O

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 20/20 0.83
▸ ADORA1 P30542 8/20 0.83
▸ ADORA2A P29274 5/20 0.83
▸ PPARG P37231 1/20 0.83
▸ PPARD Q03181 1/20 0.83

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
SCHEMBL14296866 0.93 ADORA3 (0.86) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL18675576 0.91 ADORA3 (1.00) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL5369617 0.91 ADORA3 (1.00) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL12264930 0.91 ADORA3 (1.00) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL14316094 0.91 ADORA3 (1.00) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL18675574 0.91 ADORA3 (1.00) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL14296862 0.87 ADORA3 (0.77) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL14325238 0.86 ADORA3 (0.75) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL5369601 0.86 ADORA3 (0.75) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL5420522 0.86 ADORA3 (0.75) ADORA3ADORA1ADORA2APPARGPPARD

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-20120322815-A1 PHARMACEUTICAL COMPOSITION CONTAINING A3 ADENOSINE RECEPTOR AGONIST EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2012-12-20 — — 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-20120322815-A1 PHARMACEUTICAL COMPOSITION CONTAINING A3 ADENOSINE RECEPTOR AGONIST ADORA3, ADORA2A, ADORA1 ADORA3 1/4885ADORA1 3/4885ADORA2A 2/4885

“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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