SCHEMBL935050

SCHEMBL935050

CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cc(Cl)ccc4Cl)ncnc32)[C@H](O)[C@@H]1N

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 16/20 0.83
ADORA1 P30542 4/20 0.73
CYP3A4 P08684 1/20 0.61
TSHR P16473 1/20 0.61
NFKB1 P19838 1/20 0.61

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
SCHEMBL29389782 1.00 ADORA3 (0.83) ADORA3ADORA1CYP3A4TSHRNFKB1
SCHEMBL19459489 0.93 ADORA3 (0.82) ADORA3ADORA1CYP3A4TSHRNFKB1
SCHEMBL24615060 0.93 ADORA3 (0.76) ADORA3ADORA1CYP3A4TSHRNFKB1
SCHEMBL7512284 0.91 ADORA3 (0.69) ADORA3ADORA1
SCHEMBL19520735 0.91 ADORA3 (0.69) ADORA3ADORA1CYP3A4TSHRNFKB1
SCHEMBL937053 0.91 ADORA3 (0.73) ADORA3ADORA1
SCHEMBL6493751 0.90 ADORA3 (0.68) ADORA3ADORA1CYP3A4TSHRNFKB1
SCHEMBL6211758 0.90 ADORA3 (1.00) ADORA3ADORA1
SCHEMBL6211242 0.89 ADORA3 (0.86) ADORA3ADORA1
SCHEMBL6491793 0.89 ADORA3 (0.85) ADORA3ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9132131-B2 Use of adenosine A3 receptor agonists for treatment of neuropathic pain SAINT LOUIS UNIVERSITY (US) 2015-09-15 US claimed
WO-2012145098-A1 USE OF ADENOSINE A3 RECEPTOR AGONISTS FOR TREATMENT OF NEUROPATHIC PAIN SAINT LOUIS UNIVERSITY (US) 2012-10-26 WO claimed
US-20120270829-A1 USE OF ADENOSINE A3 RECEPTOR AGONISTS FOR TREATMENT OF NEUROPATHIC PAIN SAINT LOUIS UNIVERSITY (US) 2012-10-25 US claimed
US-20050171049-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2005-08-04 US claimed
US-20030055021-A1 Compounds for the treatment of ischemia PFIZER, INC. 2003-03-20 US claimed
EP-1241176-A1 Purine derivatives for the treatment of ischemia Pfizer Products Inc. (US) 2002-09-18 EP claimed
US-12390483-B2 Compounds and methods for treating neurological and cardiovascular conditions ASTROCYTE PHARMACEUTICALS, INC. (US) 2025-08-19 US disclosed
US-20250177405-A1 METHODS OF TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS, INC. 2025-06-05 US disclosed
US-12239654-B2 Compounds and methods for treating neurological and cardiovascular conditions ASTROCYTE PHARMACEUTICALS, INC. (US) 2025-03-04 US disclosed
EP-4414027-A2 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS Astrocyte Pharmaceuticals, Inc. (US) 2024-08-14 EP disclosed
EP-3445368-B1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS INC (US) 2024-07-17 EP disclosed
EP-3445368-B1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS INC (US) 2024-07-17 EP disclosed
US-11839615-B2 Compounds and methods for treating addiction and related disorders ASTROCYTE PHARMACEUTICALS, INC. (US) 2023-12-12 US disclosed
WO-2012145098-A1 USE OF ADENOSINE A3 RECEPTOR AGONISTS FOR TREATMENT OF NEUROPATHIC PAIN SAINT LOUIS UNIVERSITY (US) 2012-10-26 WO disclosed
US-20120270829-A1 USE OF ADENOSINE A3 RECEPTOR AGONISTS FOR TREATMENT OF NEUROPATHIC PAIN SAINT LOUIS UNIVERSITY (US) 2012-10-25 US disclosed
US-20120134945-A1 A3 ADENOSINE RECEPTOR LIGANDS FOR MODULATION OF PIGMENTATION ORADIN PHARMACEUTICAL LTD. (IL) 2012-05-31 US disclosed
EP-2456419-A1 A3 ADENOSINE RECEPTOR LIGANDS FOR MODULATION OF PIGMENTATION Oradin Pharmaceutical Ltd. (IL) 2012-05-30 EP disclosed
WO-2011010306-A1 A3 ADENOSINE RECEPTOR LIGANDS FOR MODULATION OF PIGMENTATION RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2011-01-27 WO disclosed
US-20050171049-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2005-08-04 US disclosed
US-20030055021-A1 Compounds for the treatment of ischemia PFIZER, INC. 2003-03-20 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 (6 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-12390483-B2 Compounds and methods for treating neurological and cardiovascular conditions TNNI3, CPT1B, TNNT2 ADORA3 778/4885ADORA1 994/4885CYP3A4 1414/4885
US-20050171049-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, TBXA2R ADORA3 4/4885ADORA1 14/4885CYP3A4 1940/4885
US-11839615-B2 Compounds and methods for treating addiction and related disorders ADORA2A, TAAR5, ADORA3 ADORA3 3/4885ADORA1 11/4885CYP3A4 1252/4885
US-20030055021-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 ADORA3 29/4885ADORA1 89/4885CYP3A4 2413/4885
US-20250177405-A1 METHODS OF TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ADORA2A, ADORA3, ADORA1 ADORA3 2/4885ADORA1 3/4885CYP3A4 2083/4885
US-12239654-B2 Compounds and methods for treating neurological and cardiovascular conditions TNNI3, CPT1B, TNNT2 ADORA3 778/4885ADORA1 994/4885CYP3A4 1414/4885

“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.