SCHEMBL448537

SCHEMBL448537

Clc1nc(NCc2cccc(I)c2)c2ncn(C3CCCO3)c2n1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 14/20 0.67
▸ ADORA1 P30542 8/20 0.67
▸ ADORA2A P29274 7/20 0.67
▸ PPARG P37231 3/20 0.62
▸ PPARD Q03181 3/20 0.62
▸ ADORA2B P29275 2/20 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
SCHEMBL27809227 0.89 ADORA3 (0.67) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL30410723 0.89 ADORA3 (0.64) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL20547189 0.89 ADORA3 (0.57) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL20547426 0.89 NPC1 (0.68) ADORA3ADORA1ADORA2A
SCHEMBL30411047 0.86 ADORA3 (0.63) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL20547489 0.86 YTHDC1 (0.61) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL1501479 0.86 NPC1 (0.73) ADORA3ADORA1ADORA2A
SCHEMBL27501567 0.86 ADORA3 (0.69) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL29659561 0.86 NPC1 (0.73) ADORA3ADORA1ADORA2A
SCHEMBL29703307 0.84 PPARD (0.68) ADORA3ADORA1ADORA2APPARGPPARD

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 48 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
CN-101801970-A Adenosine derivatives, method for synthesizing the same, and pharmaceutical composition for preventing and treating inflammatory diseases comprising the same as an active ingredient FM THERAPEUTICS CO LTD 2010-08-11 — — CN 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
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
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
US-20080300213-A1 Use of A3 Adenosine Receptor Agonist in Osteoarthritis Treatment CAN-FITE BIOPHARMA LTD. (IL) 2008-12-04 — — US 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
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 (8 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 ADORA3 12/4885ADORA1 18/4885ADORA2A 4/4885
US-20070099865-A1 Treatment of dry eye conditions ADORA3, ADORA2A, ADORA2B ADORA3 1/4885ADORA1 5/4885ADORA2A 2/4885
US-20220079968-A1 AN A3 ADENOSINE RECEPTOR LIGAND FOR USE FOR ACHIEVING A FAT LOSS EFFECT ADORA2A, ADORA3, FABP4 ADORA3 2/4885ADORA1 4/4885ADORA2A 1/4885
US-20230201240-A1 TREATMENT OF ADVANCED METASTATIC CANCER ADORA3, ADORA2A, ADORA1 ADORA3 1/4885ADORA1 3/4885ADORA2A 2/4885
US-20260115218-A1 TREATMENT OF ADVANCED METASTATIC CANCER ADORA2B, ADORA3, ADORA2A ADORA3 2/4885ADORA1 4/4885ADORA2A 3/4885
US-20080300213-A1 Use of A3 Adenosine Receptor Agonist in Osteoarthritis Treatment ADORA3, ADORA2A, ADORA1 ADORA3 1/4885ADORA1 3/4885ADORA2A 2/4885
US-12213990-B2 A3 adenosine receptor ligand for use for achieving a fat loss effect ADORA3, ADORA2A, FABP4 ADORA3 1/4885ADORA1 4/4885ADORA2A 2/4885
US-20060084626-A1 Pharmaceutical compositions comprising an adenosine receptor agonist or antagonist ADORA2A, ADORA3, ADORA1 ADORA3 2/4885ADORA1 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.

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