SCHEMBL448801

SCHEMBL448801

Nc1nc(NCCc2ccccc2)nc2c1ncn2[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.58
ADORA2B P29275 4/20 0.58
ADORA1 P30542 3/20 0.58
ADORA3 P0DMS8 1/20 0.58
TMIGD3 P0DMS9 2/20 0.58
AHCY P23526 1/20 0.56

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
SCHEMBL590551 0.84 ADORA2A (0.73) ADORA2AADORA2BADORA1ADORA3TMIGD3
Trifluoroacetic Acid SCHEMBL1402076 0.80 ADORA2A (0.57) ADORA2AADORA2BADORA1ADORA3TMIGD3
SCHEMBL1402080 0.79 ADORA2A (0.53) ADORA2AADORA2BADORA1ADORA3TMIGD3
Trifluoroacetic Acid SCHEMBL589376 0.79 ADORA2A (0.68) ADORA2AADORA2BADORA1ADORA3TMIGD3
SCHEMBL448798 0.78 AHCY (0.56) ADORA2AADORA3AHCY
SCHEMBL10587027 0.78 ADORA2A (0.82) ADORA2AADORA2BADORA1ADORA3
SCHEMBL8373469 0.78 ADORA2A (0.82) ADORA2AADORA2BADORA1ADORA3
SCHEMBL5163682 0.75 ADORA1 (0.75) ADORA2AADORA2BADORA1ADORA3TMIGD3
SCHEMBL5161127 0.74 ADORA2A (0.85) ADORA2AADORA2BADORA1ADORA3TMIGD3
SCHEMBL7209277 0.74 ADORA2A (0.80) ADORA2AADORA2BADORA1ADORA3TMIGD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7064112-B1 Pharmaceutical compositions comprising an adenosine receptor agonist or antagonist CAN-FITE BIOPHARMA LTD. (IL) 2006-06-20 US claimed
US-20060084626-A1 Pharmaceutical compositions comprising an adenosine receptor agonist or antagonist CAN-FITE BIOPHARMA LTD. (IL) 2006-04-20 US claimed
US-20260115218-A1 TREATMENT OF ADVANCED METASTATIC CANCER CAN-FITE BIOPHARMA LTD. (IL) 2026-04-30 US disclosed
US-12213990-B2 A3 adenosine receptor ligand for use for achieving a fat loss effect CAN-FITE BIOPHARMA LTD. (IL) 2025-02-04 US disclosed
EP-3530273-B1 A3 ADENOSINE RECEPTOR LIGANDS FOR USE IN THE TREATMENT OF A SEXUAL DYSFUNCTION CAN FITE BIOPHARMA LTD (IL) 2024-08-14 EP disclosed
US-20230201240-A1 TREATMENT OF ADVANCED METASTATIC CANCER CAN-FITE BIOPHARMA LTD. (IL) 2023-06-29 US disclosed
US-11291681-B2 Method for treating fibrotic liver tissue using Cl-IB-MECA CAN-FITE BIOPHARMA LTD. (IL) 2022-04-05 US disclosed
US-20220079968-A1 AN A3 ADENOSINE RECEPTOR LIGAND FOR USE FOR ACHIEVING A FAT LOSS EFFECT CAN-FITE BIOPHARMA LTD. (IL) 2022-03-17 US disclosed
CN-113543790-A Use of A for achieving a fat-reducing effect3Adenosine receptor ligands 坎-菲特生物药物有限公司 2021-10-22 CN disclosed
CN-108367016-B A3 adenosine receptor ligands for the treatment of ectopic fat accumulation 坎-菲特生物药物有限公司 2021-07-16 CN disclosed
US-9549943-B2 A3 adenosine receptor ligands for use in treatment of a sexual dysfunction CAN-FITE BIOPHARMA LTD. (IL) 2017-01-24 US disclosed
US-20150216889-A1 A3 ADENOSINE RECEPTOR LIGANDS FOR USE IN TREATMENT OF A SEXUAL DYSFUNCTION CAN-FITE BIOPHARMA LTD. (IL) 2015-08-06 US disclosed
US-8557790-B2 A3 adenoside receptor agonists for the reduction of intraocular pressure CAN-FITE BIOPHARMA LTD. (IL) 2013-10-15 US disclosed
US-20120065155-A1 A3 ADENOSIDE RECEPTOR AGONISTS FOR THE REDUCTION OF INTRAOCULAR PRESSURE CAN-FITE BIOPHARMA LTD. (IL) 2012-03-15 US disclosed
US-20100222369-A1 TREATMENT FOR DRY EYE CONDITIONS CAN-FITE BIOPHARMA LTD. (IL) 2010-09-02 US disclosed
US-20080300213-A1 Use of A3 Adenosine Receptor Agonist in Osteoarthritis Treatment CAN-FITE BIOPHARMA LTD. (IL) 2008-12-04 US disclosed
US-7064112-B1 Pharmaceutical compositions comprising an adenosine receptor agonist or antagonist CAN-FITE BIOPHARMA LTD. (IL) 2006-06-20 US disclosed
US-20060084626-A1 Pharmaceutical compositions comprising an adenosine receptor agonist or antagonist CAN-FITE BIOPHARMA LTD. (IL) 2006-04-20 US disclosed
US-5688774-A ANTIINFLAMMATORY AGENTS, HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-11-18 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 (10 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-11291681-B2 Method for treating fibrotic liver tissue using Cl-IB-MECA GPR119, FABP1, INSR ADORA2A 4/4885ADORA2B 7/4885ADORA1 18/4885
US-20220079968-A1 AN A3 ADENOSINE RECEPTOR LIGAND FOR USE FOR ACHIEVING A FAT LOSS EFFECT ADORA2A, ADORA3, FABP4 ADORA2A 1/4885ADORA2B 7/4885ADORA1 4/4885
US-20230201240-A1 TREATMENT OF ADVANCED METASTATIC CANCER ADORA3, ADORA2A, ADORA1 ADORA2A 2/4885ADORA2B 4/4885ADORA1 3/4885
US-20100222369-A1 TREATMENT FOR DRY EYE CONDITIONS ADORA3, ADORA2A, ADORA2B ADORA2A 2/4885ADORA2B 3/4885ADORA1 4/4885
US-20150216889-A1 A3 ADENOSINE RECEPTOR LIGANDS FOR USE IN TREATMENT OF A SEXUAL DYSFUNCTION ADORA3, ADORA2A, ADORA2B ADORA2A 2/4885ADORA2B 3/4885ADORA1 4/4885
US-20260115218-A1 TREATMENT OF ADVANCED METASTATIC CANCER ADORA2B, ADORA3, ADORA2A ADORA2A 3/4885ADORA2B 1/4885ADORA1 4/4885
US-20080300213-A1 Use of A3 Adenosine Receptor Agonist in Osteoarthritis Treatment ADORA3, ADORA2A, ADORA1 ADORA2A 2/4885ADORA2B 4/4885ADORA1 3/4885
US-12213990-B2 A3 adenosine receptor ligand for use for achieving a fat loss effect ADORA3, ADORA2A, FABP4 ADORA2A 2/4885ADORA2B 5/4885ADORA1 4/4885
US-20120065155-A1 A3 ADENOSIDE RECEPTOR AGONISTS FOR THE REDUCTION OF INTRAOCULAR PRESSURE ADORA3, ADORA1, ADORA2A ADORA2A 3/4885ADORA2B 4/4885ADORA1 2/4885
US-20060084626-A1 Pharmaceutical compositions comprising an adenosine receptor agonist or antagonist ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA2B 5/4885ADORA1 3/4885

“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.