SCHEMBL447288

SCHEMBL447288

Nc1nc(Cc2cccc(I)c2)nc2c1ncn2CC(O)CO

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.49
AHCY P23526 1/20 0.49
PPARG P37231 3/20 0.37
PPARD Q03181 3/20 0.37
CTSL P07711 1/20 0.37
ADORA1 P30542 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAP2K1 Q02750 1/20 0.35

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
SCHEMBL448404 0.87 PPARG (0.41) ADORA2APPARGPPARDADORA1ADORA3
SCHEMBL465001 0.85 ADORA2A (0.45) ADORA2APPARGPPARDADORA1ADORA3
SCHEMBL448173 0.81 ADORA2A (0.40) ADORA2APPARGPPARDADORA1ADORA3
SCHEMBL465000 0.80 CDK1 (0.40)
SCHEMBL449667 0.79 ADORA2A (0.38) ADORA2APPARGPPARDCTSLADORA1
SCHEMBL450536 0.78 CDK1 (0.45) ADORA2AADORA1ADORA3
SCHEMBL23710566 0.73 AHCY (0.68) ADORA2AAHCYADORA1ALDH1A1
SCHEMBL3049180 0.71 ADORA3 (0.58) ADORA2AADORA1ADORA3
SCHEMBL29501856 0.71 ADORA3 (0.58) ADORA2AADORA1ADORA3
SCHEMBL3055654 0.71 ADORA3 (0.58) ADORA2AADORA1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825102-B2 Treatment of dry eye conditions CAN-FITE BIOPHARMA LTD. (IL) 2010-11-02 US claimed
EP-1778239-A1 ADENOSINE A3 RECEPTOR AGONISTS FOR THE TREATMENT OF DRY EYE DISORDERS INCLUDING SJOGREN'S SYNDROME Can-Fite Biopharma Ltd. (IL) 2007-05-02 EP claimed
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
WO-2006011130-A1 ADENOSINE A3 RECEPTOR AGONISTS FOR THE TREATMENT OF DRY EYE DISORDERS INCLUDING SJOGREN’S SYNDROME CAN-FITE BIOPHARMA LTD. (IL) 2006-02-02 WO claimed
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
EP-3906034-A1 AN A3 ADENOSINE RECEPTOR LIGAND FOR USE FOR ACHIEVING A FAT LOSS EFFECT Can-Fite Biopharma Ltd. (IL) 2021-11-10 EP 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-20210069227-A1 A3 ADENOSINE RECEPTOR LIGAND FOR MANAGING CYTOKINE RELEASE SYNDROME CAN-FITE BIOPHARMA LTD (IL) 2021-03-11 US disclosed
US-20200384009-A1 A3 ADENOSINE RECEPTOR LIGAND FOR USE IN TREATING ECTOPIC FAT ACCUMULATION CAN-FITE BIOPHARMA LTD. (IL) 2020-12-10 US disclosed
US-10780106-B2 Method for treating NASH accompanied by fibrosis using Cl-IB-MECA CAN-FITE BIOPHARMA LTD. (IL) 2020-09-22 US disclosed
EP-1959939-A1 USE OF A3 ADENOSINE RECEPTOR AGONIST IN OSTEOARTHRITIS TREATMENT Can-Fite Biopharma Ltd. (IL) 2008-08-27 EP disclosed
WO-2007086044-A1 ADENOSINE A3 RECEPTOR AGONISTS FOR THE TREATMENT OF DRY EYE DISORDERS CAN-FITE BIOPHARMA LTD. (IL) 2007-08-02 WO disclosed
WO-2007063538-A1 USE OF A3 ADENOSINE RECEPTOR AGONIST IN OSTEOARTHRITIS TREATMENT CAN-FITE BIOPHARMA LTD. (IL) 2007-06-07 WO disclosed
US-20070099865-A1 Treatment of dry eye conditions CAN-FITE BIOPHARMA LTD. (IL) 2007-05-03 US disclosed
EP-1778239-A1 ADENOSINE A3 RECEPTOR AGONISTS FOR THE TREATMENT OF DRY EYE DISORDERS INCLUDING SJOGREN'S SYNDROME Can-Fite Biopharma Ltd. (IL) 2007-05-02 EP 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
WO-2006011130-A1 ADENOSINE A3 RECEPTOR AGONISTS FOR THE TREATMENT OF DRY EYE DISORDERS INCLUDING SJOGREN’S SYNDROME CAN-FITE BIOPHARMA LTD. (IL) 2006-02-02 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 (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-20070099865-A1 Treatment of dry eye conditions ADORA3, ADORA2A, ADORA2B ADORA2A 2/4885AHCY 417/4885PPARG 3776/4885
US-20200384009-A1 A3 ADENOSINE RECEPTOR LIGAND FOR USE IN TREATING ECTOPIC FAT ACCUMULATION GPR119, ADORA2A, FABP4 ADORA2A 2/4885AHCY 314/4885PPARG 44/4885
US-20230201240-A1 TREATMENT OF ADVANCED METASTATIC CANCER ADORA3, ADORA2A, ADORA1 ADORA2A 2/4885AHCY 718/4885PPARG 1176/4885
US-20210069227-A1 A3 ADENOSINE RECEPTOR LIGAND FOR MANAGING CYTOKINE RELEASE SYNDROME ADORA3, ADORA2A, IL1RN ADORA2A 2/4885AHCY 230/4885PPARG 2914/4885
US-10780106-B2 Method for treating NASH accompanied by fibrosis using Cl-IB-MECA GPR119, FABP1, INSR ADORA2A 6/4885AHCY 117/4885PPARG 201/4885
US-20060084626-A1 Pharmaceutical compositions comprising an adenosine receptor agonist or antagonist ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885AHCY 714/4885PPARG 293/4885

“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.