SCHEMBL5391740

SCHEMBL5391740

OC[C@@H]1C[C@@H](O)[C@H](n2cnc3c(NC4CCC(O)CC4)ncnc32)O1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.60
▸ PMP22 Q01453 2/20 0.60
▸ ADORA2A P29274 2/20 0.60
▸ ADORA3 P0DMS8 1/20 0.60
▸ GAA P10253 1/20 0.60
▸ ADORA2B P29275 1/20 0.60
▸ ADORA1 P30542 1/20 0.60
▸ HTT P42858 1/20 0.60
▸ SIGMAR1 Q99720 1/20 0.60
▸ SLC29A1 Q99808 1/20 0.60
▸ RXFP1 Q9HBX9 1/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ TP53 P04637 1/20 0.60
▸ NFKB1 P19838 1/20 0.60
▸ HIF1A Q16665 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ THPO P40225 1/20 0.59

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
SCHEMBL14593728 1.00 TSHR (0.60) TSHRPMP22ADORA2AADORA3GAA
SCHEMBL5401767 0.91 ADORA3 (0.54) TSHRPMP22ADORA2AADORA3GAA
SCHEMBL5396174 0.87 ADORA1 (0.72) ADORA2AADORA3ADORA2BADORA1SLC29A1
SCHEMBL5386609 0.86 SLC29A1 (0.54) TSHRPMP22ADORA2AADORA3GAA
SCHEMBL5386573 0.85 ADORA3 (0.69) TSHRPMP22ADORA2AADORA3GAA
SCHEMBL5399226 0.85 ADORA1 (0.72) TSHRPMP22ADORA2AADORA3GAA
SCHEMBL5391367 0.85 ADORA3 (0.69) TSHRPMP22ADORA2AADORA3GAA
SCHEMBL23982263 0.84 ADORA3 (0.67) ADORA2AADORA3ADORA2BADORA1SLC29A1
SCHEMBL7737737 0.84 ADORA3 (0.67) ADORA2AADORA3ADORA2BADORA1SLC29A1
SCHEMBL7737742 0.84 ADORA3 (0.67) ADORA2AADORA3ADORA2BADORA1SLC29A1

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 7 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
US-7163928-B2 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. (US) 2007-01-16 — — US disclosed
US-7163928-B2 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. (US) 2007-01-16 — — US disclosed
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 TSHR 117/4885PMP22 3879/4885ADORA2A 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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