SCHEMBL448640

SCHEMBL448640

Nc1ncnc2c1ncn2Cc1cccc(I)c1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.71
PI4KA P42356 3/20 0.71
PI4K2B Q8TCG2 3/20 0.71
PI4K2A Q9BTU6 3/20 0.71
PI4KB Q9UBF8 3/20 0.71
NSD2 O96028 1/20 0.52
NSD3 Q9BZ95 1/20 0.52
ADORA1 P30542 3/20 0.51
ADORA2B P29275 1/20 0.49
PIK3CD O00329 3/20 0.48
EGFR P00533 1/20 0.47

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
SCHEMBL11015789 0.84 ADORA2A (0.71) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL288237 0.84 ADORA2A (0.71) ADORA2API4KAPI4K2BPI4K2API4KB
9-Benzyl-9H-Adenine SCHEMBL104932 0.83 ADORA2A (1.00) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL7744345 0.81 PDE8A (0.57) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL11811272 0.77 ADORA2A (0.64) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL22533530 0.76 ADORA2A (0.71) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL21788552 0.76 ADORA2A (0.76) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL11815862 0.76 ADORA2A (0.66) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL22533851 0.75 ADORA2A (0.74) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL6659204 0.75 ADORA2A (0.74) ADORA2API4KAPI4K2BPI4K2API4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 claimed
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-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-20200384009-A1 A3 ADENOSINE RECEPTOR LIGAND FOR USE IN TREATING ECTOPIC FAT ACCUMULATION CAN-FITE BIOPHARMA LTD. (IL) 2020-12-10 US disclosed
EP-3380104-B1 AN A3 ADENOSINE RECEPTOR LIGAND FOR USE IN TREATING ECTOPIC FAT ACCUMULATION CAN FITE BIOPHARMA LTD (IL) 2020-11-11 EP 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
CN-111447953-A A3 adenosine receptor ligands for the management of cytokine release syndrome 康菲生物制药有限公司 2020-07-24 CN disclosed
CN-101365430-A Adenosine a3 receptor agonists for the treatment of dry eye disorders CAN FITE BIOPHARMA LTD (IL) 2009-02-11 CN disclosed
CN-101330909-A Use of A3 adenosine receptor agonist in osteoarthritis treatment CAN FITE BIOPHARMA LTD (IL) 2008-12-24 CN disclosed
US-20080300213-A1 Use of A3 Adenosine Receptor Agonist in Osteoarthritis Treatment CAN-FITE BIOPHARMA LTD. (IL) 2008-12-04 US disclosed
EP-1976494-A1 ADENOSINE A3 RECEPTOR AGONISTS FOR THE TREATMENT OF DRY EYE DISORDERS Can-Fite Biopharma Ltd. (IL) 2008-10-08 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
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
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
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 (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-20200384009-A1 A3 ADENOSINE RECEPTOR LIGAND FOR USE IN TREATING ECTOPIC FAT ACCUMULATION GPR119, ADORA2A, FABP4 ADORA2A 2/4885PI4KA 1590/4885PI4K2B 1287/4885
US-10780106-B2 Method for treating NASH accompanied by fibrosis using Cl-IB-MECA GPR119, FABP1, INSR ADORA2A 6/4885PI4KA 2215/4885PI4K2B 1409/4885
US-20080300213-A1 Use of A3 Adenosine Receptor Agonist in Osteoarthritis Treatment ADORA3, ADORA2A, ADORA1 ADORA2A 2/4885PI4KA 2289/4885PI4K2B 2970/4885
US-20060084626-A1 Pharmaceutical compositions comprising an adenosine receptor agonist or antagonist ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885PI4KA 2210/4885PI4K2B 2647/4885

“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.