SCHEMBL448638

SCHEMBL448638

Nc1nc(Cc2cccc(I)c2)nc2[nH]cnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.37
DBF4 Q9UBU7 1/20 0.37
ADORA1 P30542 3/20 0.36
ADORA2A P29274 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
AKT1 P31749 1/20 0.36
IDO1 P14902 2/20 0.35
ADORA2B P29275 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
CCR2 P41597 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
THPO P40225 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL288235 0.85 ADORA1 (0.51) ADORA1ADORA2AADORA3ADORA2BCYP1A2
SCHEMBL28320167 0.85 MPO (0.43) CDC7DBF4ADORA1ADORA2AADORA3
SCHEMBL217337 0.84 ADORA1 (0.47) ADORA1ADORA2AADORA3ADORA2BPDE4A
SCHEMBL16146201 0.81 APP (0.40) ADORA1ADORA2AADORA3ADORA2B
SCHEMBL448639 0.80 CDC7 (0.47) CDC7DBF4PDE4APDE4BPDE4C
SCHEMBL28320162 0.76 HTR6 (0.38) ADORA1ADORA2AADORA2BPDE4APDE4B
SCHEMBL7834202 0.75 MPO (0.45) RAB9A
SCHEMBL11583361 0.75 TAAR1 (0.40) ADORA1RAB9A
SCHEMBL1422153 0.73 ALDH1A1 (0.47) ADORA1CYP2D6
SCHEMBL15300300 0.73 MPO (0.41) ADORA1ADORA2AADORA2BPDE4APDE4B

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 35 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
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
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
EP-3681538-A1 A3 ADENOSINE RECEPTOR LIGAND FOR MANAGING CYTOKINE RELEASE SYNDROME Can-Fite Biopharma Ltd. (IL) 2020-07-22 EP disclosed
WO-2020141535-A1 AN A3 ADENOSINE RECEPTOR LIGAND FOR USE FOR ACHIEVING A FAT LOSS EFFECT CAN-FITE BIOPHARMA LTD. (IL) 2020-07-09 WO disclosed
WO-2011107981-A1 A3AR AGONISTS FOR THE TREATMENT OF UVEITIS GOVERNMENT OF THE USA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-09-09 WO disclosed
WO-2010134067-A1 A3 ADENOSINE RECEPTOR AGONISTS FOR THE REDUCTION OF INTRAOCULAR PRESSURE CAN-FITE BIOPHARMA LTD. (IL) 2010-11-25 WO 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 (3 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 CDC7 3599/4885DBF4 2592/4885ADORA1 11/4885
US-20080300213-A1 Use of A3 Adenosine Receptor Agonist in Osteoarthritis Treatment ADORA3, ADORA2A, ADORA1 CDC7 3571/4885DBF4 2045/4885ADORA1 3/4885
US-20060084626-A1 Pharmaceutical compositions comprising an adenosine receptor agonist or antagonist ADORA2A, ADORA3, ADORA1 CDC7 436/4885DBF4 3356/4885ADORA1 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.