SCHEMBL447583

SCHEMBL447583

CSc1nc(NCc2cccc(I)c2)c2ncn([C@@H]3O[C@H](C(O)NC=O)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 11/20 0.57
ADORA1 P30542 6/20 0.57
ADORA2A P29274 5/20 0.57
ADORA2B P29275 3/20 0.57
MAPK1 P28482 3/20 0.57
HTR2C P28335 2/20 0.57
HTR2B P41595 2/20 0.57
ABCG2 Q9UNQ0 2/20 0.57
CYP1A2 P05177 2/20 0.57
MAPT P10636 2/20 0.57
PPARG P37231 1/20 0.57
PPARD Q03181 1/20 0.57
TP53 P04637 1/20 0.57
CYP3A4 P08684 2/20 0.54
LMNA P02545 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54
CYP2D6 P10635 1/20 0.54
PKM P14618 1/20 0.54
TSHR P16473 1/20 0.54

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
SCHEMBL4969425 1.00 ADORA3 (0.57) ADORA3ADORA1ADORA2AADORA2BMAPK1
SCHEMBL2445029 0.89 ADORA3 (0.63) ADORA3ADORA1ADORA2AADORA2BMAPK1
SCHEMBL4971922 0.89 ADORA3 (0.63) ADORA3ADORA1ADORA2AADORA2BMAPK1
SCHEMBL449676 0.89 ADORA3 (0.63) ADORA3ADORA1ADORA2AADORA2BMAPK1
SCHEMBL4969689 0.89 ADORA3 (0.70) ADORA3ADORA1ADORA2AADORA2BMAPK1
SCHEMBL453046 0.89 ADORA3 (0.70) ADORA3ADORA1ADORA2AADORA2BMAPK1
SCHEMBL19459893 0.84 ADORA3 (0.80) ADORA3ADORA1ADORA2AADORA2BMAPK1
SCHEMBL8983111 0.80 ADORA3 (0.75) ADORA3ADORA1ADORA2AADORA2BMAPK1
SCHEMBL25396739 0.79 ADORA3 (0.73) ADORA3ADORA1ADORA2AADORA2BMAPK1
SCHEMBL7287853 0.79 ADORA3 (0.73) ADORA3ADORA1ADORA2AADORA2BMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708781-B1 A 3 ADENOSINE RECEPTOR AGONISTS USA (US) 2001-10-04 EP claimed
EP-0708781-A1 A 3 ADENOSINE RECEPTOR AGONISTS THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 1996-05-01 EP claimed
WO-1995002604-A1 A3 ADENOSINE RECEPTOR AGONISTS THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-01-26 WO claimed
US-20230201240-A1 TREATMENT OF ADVANCED METASTATIC CANCER CAN-FITE BIOPHARMA LTD. (IL) 2023-06-29 US disclosed
US-10265337-B2 Use of A3 adenosine receptor agonist in osteoarthritis treatment CAN-FITE BIOPHARMA LTD. (IL) 2019-04-23 US disclosed
US-20160263142-A1 USE OF A3 ADENOSINE RECEPTOR AGONIST IN OSTEOARTHRITIS TREATMENT CAN-FITE BIOPHARMA LTD. (IL) 2016-09-15 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
EP-2432475-A1 A3 ADENOSINE RECEPTOR AGONISTS FOR THE REDUCTION OF INTRAOCULAR PRESSURE Can-Fite Biopharma Ltd. (IL) 2012-03-28 EP disclosed
US-20120065155-A1 A3 ADENOSIDE RECEPTOR AGONISTS FOR THE REDUCTION OF INTRAOCULAR PRESSURE CAN-FITE BIOPHARMA LTD. (IL) 2012-03-15 US disclosed
EP-1959939-B1 USE OF A3 ADENOSINE RECEPTOR AGONIST IN OSTEOARTHRITIS TREATMENT CAN FITE BIOPHARMA LTD (IL) 2012-01-11 EP 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-1959939-A1 USE OF A3 ADENOSINE RECEPTOR AGONIST IN OSTEOARTHRITIS TREATMENT Can-Fite Biopharma Ltd. (IL) 2008-08-27 EP 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
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
EP-0708781-B1 A 3 ADENOSINE RECEPTOR AGONISTS USA (US) 2001-10-04 EP disclosed
EP-0708781-A1 A 3 ADENOSINE RECEPTOR AGONISTS THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 1996-05-01 EP disclosed
WO-1995002604-A1 A3 ADENOSINE RECEPTOR AGONISTS THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-01-26 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 (7 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 ADORA3 1/4885ADORA1 5/4885ADORA2A 2/4885
US-20160263142-A1 USE OF A3 ADENOSINE RECEPTOR AGONIST IN OSTEOARTHRITIS TREATMENT ADORA3, ADORA2A, ADORA1 ADORA3 1/4885ADORA1 3/4885ADORA2A 2/4885
US-20230201240-A1 TREATMENT OF ADVANCED METASTATIC CANCER ADORA3, ADORA2A, ADORA1 ADORA3 1/4885ADORA1 3/4885ADORA2A 2/4885
US-20080300213-A1 Use of A3 Adenosine Receptor Agonist in Osteoarthritis Treatment ADORA3, ADORA2A, ADORA1 ADORA3 1/4885ADORA1 3/4885ADORA2A 2/4885
US-20120065155-A1 A3 ADENOSIDE RECEPTOR AGONISTS FOR THE REDUCTION OF INTRAOCULAR PRESSURE ADORA3, ADORA1, ADORA2A ADORA3 1/4885ADORA1 2/4885ADORA2A 3/4885
US-10265337-B2 Use of A3 adenosine receptor agonist in osteoarthritis treatment ADORA3, ADORA2A, ADORA1 ADORA3 1/4885ADORA1 3/4885ADORA2A 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.