SCHEMBL5401453

SCHEMBL5401453

CCCCCCC(=O)N1CC[C@@H](Nc2nc(Cl)nc3c2ncn3[C@@H]2O[C@H](CO)C[C@H]2O)C1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 4/20 0.49
▸ ADORA2A P29274 2/20 0.49
▸ ADORA2B P29275 2/20 0.49
▸ ADORA1 P30542 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL5396136 0.89 ADORA1 (0.58) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL5388754 0.89 ADORA1 (0.58) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL5398636 0.88 ADORA1 (0.57) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL5388721 0.88 ADORA1 (0.57) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL5191792 0.83 ADORA3 (0.46) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL6070268 0.79 ADORA3 (0.49) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL5392966 0.76 ADORA1 (0.74) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL5401506 0.76 ADORA1 (0.74) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL5394909 0.76 ADORA3 (0.56) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL5392511 0.76 ADORA3 (0.56) ADORA3ADORA2AADORA2BADORA1MEN1

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
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
US-20040198691-A1 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. 2004-10-07 — — 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-20040198691-A1 Partial and full agonists of A1 adenosine receptors ADORA1, ADORA2A, ADORA3 ADORA3 3/4885ADORA2A 2/4885ADORA2B 5/4885

“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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