SCHEMBL6245813

SCHEMBL6245813

Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(O)CCC(=O)NC2CCCC2)[C@@H](O)[C@H]1O

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 4/20 0.65
▸ ADORA2B P29275 4/20 0.65
▸ ADORA2A P29274 3/20 0.65
▸ ADORA1 P30542 3/20 0.65
▸ HSP90B1 P14625 3/20 0.62
▸ HSP90AA1 P07900 2/20 0.62
▸ TSHR P16473 2/20 0.59
▸ RXFP1 Q9HBX9 1/20 0.59
▸ HRH1 P35367 1/20 0.59
▸ TMEM97 Q5BJF2 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ BLM P54132 1/20 0.59
▸ DOT1L Q8TEK3 1/20 0.54
▸ METTL3 Q86U44 1/20 0.54
▸ METTL14 Q9HCE5 1/20 0.54

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
SCHEMBL10578047 0.86 ADORA1 (0.52) ADORA3ADORA2BADORA2AADORA1HSP90B1
SCHEMBL11409612 0.85 ADORA2B (0.70) ADORA3ADORA2BADORA2AADORA1HSP90B1
SCHEMBL11409631 0.85 ADORA2B (0.70) ADORA3ADORA2BADORA2AADORA1HSP90B1
SCHEMBL7321542 0.84 AHCY (0.62) ADORA3ADORA2BADORA2AADORA1HSP90B1
SCHEMBL11416011 0.84 ADORA2B (0.69) ADORA3ADORA2BADORA2AADORA1HSP90B1
SCHEMBL11415994 0.84 ADORA2B (0.69) ADORA3ADORA2BADORA2AADORA1HSP90B1
SCHEMBL11518501 0.83 ADORA2B (0.70) ADORA3ADORA2BADORA2AADORA1HSP90B1
SCHEMBL14696726 0.83 PRKACA (0.61) ADORA3ADORA2BADORA2AADORA1HSP90B1
SCHEMBL11703639 0.82 PRKACA (0.61) ADORA3ADORA2BADORA2AADORA1HSP90B1
SCHEMBL14696395 0.81 PRKACA (0.65) ADORA3ADORA2BADORA2AADORA1HSP90B1

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
EP-0222330-A2 N6-Substituted-5'-oxidized adenosine analogs WARNER-LAMBERT COMPANY (US) 1987-05-20 — — EP claimed
US-20050118262-A1 Controlled release formulation ADERIS PHARMACEUTICALS, INC. 2005-06-02 — — US disclosed
WO-2005025545-A2 PHARMACEUTICAL FORMULATION FOR CONTROLLED RELEASE OF SELODENOSON ADERIS PHARMACEUTICALS, INC. (US) 2005-03-24 — — WO disclosed
US-20050009776-A1 Method of treating atrial fibrillation or atrial flutter ADERIS PHARMACEUTICALS, INC. (US) 2005-01-13 — — US disclosed
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 (4 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-20050009776-A1 Method of treating atrial fibrillation or atrial flutter ADORA2A, HCN3, SCN9A ADORA3 7/4885ADORA2B 27/4885ADORA2A 1/4885
US-20040242930-A1 Treatment of heart rhythm disturbances with N6-substituted-5'-(N-substituted) carboxamidoadenosines ADRA1D, ADORA1, ADRA2C ADORA3 5/4885ADORA2B 14/4885ADORA2A 6/4885
US-20050118262-A1 Controlled release formulation TNNC1, ATP2A1, RYR2 ADORA3 88/4885ADORA2B 75/4885ADORA2A 73/4885
US-20040242531-A1 Treatment of heart rhythm disturbances with N6-substituted-5'-(N-substituted) carboxamidoadenosines ADRA1D, ADORA1, ADRA2C ADORA3 5/4885ADORA2B 14/4885ADORA2A 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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