SCHEMBL5396034

SCHEMBL5396034

CC(C)C(=O)N1CC[C@@H](Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)C[C@H]2O)C1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 4/20 0.62
▸ SLC29A1 Q99808 2/20 0.51
▸ TSHR P16473 2/20 0.48
▸ ADORA3 P0DMS8 2/20 0.48
▸ PMP22 Q01453 2/20 0.48
▸ ADORA2A P29274 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ ADORA2B P29275 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ SIGMAR1 Q99720 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL5397890 1.00 ADORA1 (0.62) ADORA1SLC29A1TSHRADORA3PMP22
SCHEMBL5401506 0.91 ADORA1 (0.74) ADORA1SLC29A1TSHRADORA3PMP22
SCHEMBL5392966 0.91 ADORA1 (0.74) ADORA1SLC29A1TSHRADORA3PMP22
SCHEMBL5393439 0.85 ADORA1 (0.58) ADORA1SLC29A1TSHRADORA3PMP22
SCHEMBL5393457 0.85 ADORA1 (0.58) ADORA1SLC29A1TSHRADORA3PMP22
SCHEMBL5388754 0.85 ADORA1 (0.58) ADORA1SLC29A1TSHRADORA3PMP22
SCHEMBL5396136 0.85 ADORA1 (0.58) ADORA1SLC29A1TSHRADORA3PMP22
SCHEMBL5394541 0.84 ADORA1 (0.57) ADORA1SLC29A1ADORA3
SCHEMBL5394546 0.84 ADORA1 (0.57) ADORA1SLC29A1ADORA3
SCHEMBL5386740 0.84 ADORA1 (0.56) ADORA1SLC29A1TSHRADORA3PMP22

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 410/4885TSHR 117/4885

“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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