SCHEMBL5394541

SCHEMBL5394541

CCc1ccc(C(=O)N2CC[C@@H](Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)C[C@H]3O)C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 6/20 0.57
▸ SLC29A1 Q99808 1/20 0.52
▸ ABL1 P00519 1/20 0.45
▸ RIN1 Q13671 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45

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
SCHEMBL5394546 1.00 ADORA1 (0.57) ADORA1SLC29A1ABL1RIN1ADORA3
SCHEMBL5393549 0.91 ADORA1 (0.56) ADORA1SLC29A1ADORA3
SCHEMBL5386740 0.91 ADORA1 (0.56) ADORA1SLC29A1ADORA3
SCHEMBL5393439 0.91 ADORA1 (0.58) ADORA1SLC29A1ABL1RIN1ADORA3
SCHEMBL5393457 0.91 ADORA1 (0.58) ADORA1SLC29A1ABL1RIN1ADORA3
SCHEMBL5393020 0.90 ADORA1 (0.56) ADORA1SLC29A1
SCHEMBL5393015 0.90 ADORA1 (0.56) ADORA1SLC29A1
SCHEMBL5393243 0.89 ADORA1 (0.54) ADORA1SLC29A1ADORA3
SCHEMBL5386726 0.89 ADORA1 (0.54) ADORA1SLC29A1ADORA3
SCHEMBL5393230 0.89 ADORA1 (0.54) ADORA1SLC29A1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7163928-B2 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. (US) 2007-01-16 — — US claimed
JP-2006516641-A — — 2006-07-06 — — JP claimed
EP-1590359-A2 PARTIAL AND FULL AGONISTS OF A sb 1 /sb ADENOSINE RECEPTORS CV Therapeutics Inc. (US) 2005-11-02 — — EP claimed
US-20040198691-A1 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. 2004-10-07 — — US claimed
WO-2004069185-A2 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS CV THERAPEUTICS INC. (US) 2004-08-19 — — WO claimed
US-7163928-B2 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. (US) 2007-01-16 — — US disclosed
EP-1590359-A2 PARTIAL AND FULL AGONISTS OF A sb 1 /sb ADENOSINE RECEPTORS CV Therapeutics Inc. (US) 2005-11-02 — — EP disclosed
US-20040198691-A1 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. 2004-10-07 — — US disclosed
WO-2004069185-A2 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS CV THERAPEUTICS INC. (US) 2004-08-19 — — WO 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-20040198691-A1 Partial and full agonists of A1 adenosine receptors ADORA1, ADORA2A, ADORA3 ADORA1 1/4885SLC29A1 410/4885ABL1 2276/4885

“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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