Sugi Predict

Sugi Predict / Compounds / SCHEMBL6745804

SCHEMBL6745804

SCHEMBL6745804

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[N+](=O)[O-])[C@@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 7/20 1.00
▸ ADORA3 P0DMS8 5/20 1.00
▸ ADORA2A P29274 4/20 1.00
▸ ADORA2B P29275 4/20 1.00
▸ P2RY1 P47900 7/20 0.70
▸ SMN1; SMN2 Q16637 3/20 0.70
▸ P2RY2 P41231 3/20 0.70
▸ SRC P12931 2/20 0.70
▸ P2RY11 Q96G91 2/20 0.70
▸ DNPH1 O43598 1/20 0.70
▸ PRKAB2 O43741 1/20 0.70
▸ TRPM2 O94759 1/20 0.70
▸ LDHA P00338 1/20 0.70
▸ ADRB2 P07550 1/20 0.70
▸ FBP1 P09467 1/20 0.70
▸ PRKAG1 P54619 1/20 0.70
▸ PRKAA2 P54646 1/20 0.70
▸ PDE4D Q08499 1/20 0.70
▸ KCNH2 Q12809 1/20 0.70
▸ PRKAA1 Q13131 1/20 0.70

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
SCHEMBL7605264 1.00 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL27760096 0.90 ADORA1 (0.82) ADORA1ADORA3ADORA2AADORA2BP2RY1
Adenosine SCHEMBL11061671 0.85 ADORA3 (0.85) ADORA1ADORA3ADORA2AADORA2BP2RY1
Adenosine SCHEMBL11061662 0.85 ADORA3 (0.85) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL6745798 0.85 ADORA3 (1.00) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL5024895 0.85 ADORA1 (0.76) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL2040670 0.85 ADORA1 (0.76) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL7803298 0.85 ADORA1 (0.76) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL10997946 0.85 ADORA1 (0.76) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL12963362 0.85 ADORA1 (0.76) ADORA1ADORA3ADORA2AADORA2BP2RY1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002515885-A — — 2002-05-28 — — JP claimed
EP-0880353-A4 COMPOSITIONS AND METHODS FOR MODULATING MELANIN PRODUCTION THERASYS INC (US) 2001-04-18 — — EP claimed
US-5998423-A IN SKIN OR HAIR; ADMINISTERING ADENOSINE RECEPTOR ANTAGONIST THERASYS, INC. (US) 1999-12-07 — — US claimed
EP-0880353-A1 COMPOSITIONS AND METHODS FOR MODULATING MELANIN PRODUCTION Therasys, Inc. (US) 1998-12-02 — — EP claimed
WO-1998015276-A1 COMPOSITIONS AND METHODS FOR MODULATING MELANIN PRODUCTION THERASYS, INC. (US) 1998-04-16 — — WO claimed
US-4104462-A Cardioactive adenosine nitrates HOFFMANN-LA ROCHE INC. (US) 1978-08-01 — — US claimed
CN-114502200-A Antibody drug conjugates 深圳康源久远生物技术有限公司 2022-05-13 — — CN disclosed
CN-105188713-A Method of providing ocular neuroprotection INOTEK PHARMACEUTICALS CORP 2015-12-23 — — CN disclosed
CN-102958526-A Combination compositions of adenosine A1 agonists and non-selective beta-adrenergic receptor blockers for reducing intraocular pressure INOTEK PHARMACEUTICALS CORP 2013-03-06 — — CN disclosed
CN-102933220-A Combination compositions of adenosine a1 agonists and carbonic anhydrase inhibitors for reducing intraocular pressure INOTEK PHARMACEUTICALS CORP 2013-02-13 — — CN disclosed
US-8183224-B2 Purine derivatives as adenosine A1 receptor agonists and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2012-05-22 — — US disclosed
US-20090062314-A1 Purine derivatives as adenosine A1 receptor agonists and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2009-03-05 — — US disclosed
US-7423144-B2 Purine Derivatives as adenosine A1 receptor agonists and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2008-09-09 — — US disclosed
US-5998423-A IN SKIN OR HAIR; ADMINISTERING ADENOSINE RECEPTOR ANTAGONIST THERASYS, INC. (US) 1999-12-07 — — US disclosed
EP-0880353-A1 COMPOSITIONS AND METHODS FOR MODULATING MELANIN PRODUCTION Therasys, Inc. (US) 1998-12-02 — — EP disclosed
WO-1998015276-A1 COMPOSITIONS AND METHODS FOR MODULATING MELANIN PRODUCTION THERASYS, INC. (US) 1998-04-16 — — WO disclosed
US-4460765-A Enzyme inhibitor produced by cultivation of streptomyces microorganisms SANKYO COMPANY LIMITED (JP) 1984-07-17 — — US disclosed
US-4104462-A Cardioactive adenosine nitrates HOFFMANN-LA ROCHE INC. (US) 1978-08-01 — — US disclosed
US-4104462-A Cardioactive adenosine nitrates HOFFMANN-LA ROCHE INC. (US) 1978-08-01 — — US disclosed
US-4104462-A Cardioactive adenosine nitrates HOFFMANN-LA ROCHE INC. (US) 1978-08-01 — — 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-20090062314-A1 Purine derivatives as adenosine A1 receptor agonists and methods of use thereof ADORA2A, ADORA1, ADORA3 ADORA1 2/4885ADORA3 3/4885ADORA2A 1/4885

“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.