SCHEMBL6695446

SCHEMBL6695446

Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(OC2CCCC2)N(C=O)C2CC2)[C@@H](O)[C@H]1O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 8/20 0.53
▸ ADORA3 P0DMS8 2/20 0.50
▸ ADORA2A P29274 2/20 0.50
▸ ADORA2B P29275 2/20 0.50
▸ ADORA1 P30542 2/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ TMEM97 Q5BJF2 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.50
▸ EHMT1 Q9H9B1 2/20 0.49
▸ EHMT2 Q96KQ7 1/20 0.49
▸ HSP90B1 P14625 2/20 0.48
▸ HSP90AA1 P07900 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
SCHEMBL6692383 0.89 AHCY (0.54) AHCYADORA3ADORA2AADORA2BADORA1
SCHEMBL6697082 0.88 AHCY (0.52) AHCYADORA3ADORA2AADORA2BADORA1
SCHEMBL5685760 0.87 AHCY (0.54) AHCYADORA3ADORA2AADORA2BADORA1
SCHEMBL7924078 0.87 AHCY (0.53) AHCYADORA3ADORA2AADORA2BADORA1
SCHEMBL1068915 0.85 AHCY (0.60) AHCYADORA3ADORA2AADORA2BADORA1
SCHEMBL1093486 0.81 EHMT1 (0.56) AHCYADORA3ADORA2AADORA2BADORA1
SCHEMBL5354507 0.78 ADORA3 (0.56) AHCYADORA3ADORA2AADORA2BADORA1
SCHEMBL6406587 0.77 AHCY (0.56) AHCYADORA3ADORA2AADORA2BADORA1
SCHEMBL19066616 0.76 AHCY (0.58) AHCYADORA3ADORA2AADORA2BADORA1
SCHEMBL10687080 0.75 ADORA3 (0.59) AHCYADORA3ADORA2AADORA2BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040242531-A1 Treatment of heart rhythm disturbances with N6-substituted-5'-(N-substituted) carboxamidoadenosines ADERIS PHARMACEUTICALS, INC. 2004-12-02 — — US claimed
US-20040242930-A1 Treatment of heart rhythm disturbances with N6-substituted-5'-(N-substituted) carboxamidoadenosines ADERIS PHARMACEUTICALS, INC. 2004-12-02 — — US claimed
US-6784165-B1 ADENOSINE A1 RECEPTOR AGONISTS ADERIS PHARMACEUTICALS, INC. 2004-08-31 — — US claimed
EP-1239864-A1 TREATMENT OF HEART RHYTHM DISTURBANCES WITH N6 -SUBSTITUTED-5'-(N-SUBSTITUTED) CARBOXAMIDOADENOSINES Aderis Pharmaceuticals, Inc. (US) 2002-09-18 — — EP claimed
WO-2001037845-A1 TREATMENT OF HEART RHYTHM DISTURBANCES WITH N6-SUBSTITUTED-5'-(N-SUBSTITUTED) CARBOXAMIDOADENOSINES ADERIS PHARMACEUTICALS, INC. (US) 2001-05-31 — — WO claimed
US-20040242531-A1 Treatment of heart rhythm disturbances with N6-substituted-5'-(N-substituted) carboxamidoadenosines ADERIS PHARMACEUTICALS, INC. 2004-12-02 — — US disclosed
US-20040242930-A1 Treatment of heart rhythm disturbances with N6-substituted-5'-(N-substituted) carboxamidoadenosines ADERIS PHARMACEUTICALS, INC. 2004-12-02 — — US disclosed
US-6784165-B1 ADENOSINE A1 RECEPTOR AGONISTS ADERIS PHARMACEUTICALS, INC. 2004-08-31 — — US disclosed
EP-1239864-A1 TREATMENT OF HEART RHYTHM DISTURBANCES WITH N6 -SUBSTITUTED-5'-(N-SUBSTITUTED) CARBOXAMIDOADENOSINES Aderis Pharmaceuticals, Inc. (US) 2002-09-18 — — EP disclosed
WO-2001037845-A1 TREATMENT OF HEART RHYTHM DISTURBANCES WITH N6-SUBSTITUTED-5'-(N-SUBSTITUTED) CARBOXAMIDOADENOSINES ADERIS PHARMACEUTICALS, INC. (US) 2001-05-31 — — 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 (2 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-20040242930-A1 Treatment of heart rhythm disturbances with N6-substituted-5'-(N-substituted) carboxamidoadenosines ADRA1D, ADORA1, ADRA2C AHCY 598/4885ADORA3 5/4885ADORA2A 6/4885
US-20040242531-A1 Treatment of heart rhythm disturbances with N6-substituted-5'-(N-substituted) carboxamidoadenosines ADRA1D, ADORA1, ADRA2C AHCY 598/4885ADORA3 5/4885ADORA2A 6/4885

“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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