SCHEMBL448798

SCHEMBL448798

CC(Nc1nc(N)c2ncn([C@@H]3C[C@H](O)[C@@H](O)[C@H]3O)c2n1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AHCY P23526 5/20 0.56
ADORA2A P29274 6/20 0.53
ADORA3 P0DMS8 3/20 0.53
CCNB2 O95067 1/20 0.44
CCNE2 O96020 1/20 0.44
CDK1 P06493 1/20 0.44
CDK4 P11802 1/20 0.44
CCNB1 P14635 1/20 0.44
CCND1 P24385 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44

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
SCHEMBL448801 0.78 ADORA2A (0.58) AHCYADORA2AADORA3
SCHEMBL7573100 0.73 ADORA2A (0.47) ADORA2AADORA3
SCHEMBL29501905 0.73 AHCY (0.73) AHCYADORA2AADORA3
SCHEMBL447258 0.73 AHCY (0.73) AHCYADORA2AADORA3
SCHEMBL7206725 0.70 PI4KA (0.59) ADORA2AADORA3
SCHEMBL591104 0.69 ADORA2A (1.00) ADORA2AADORA3CDK1
SCHEMBL591839 0.69 ADORA2A (1.00) ADORA2AADORA3CDK1
SCHEMBL590747 0.69 ADORA2A (1.00) ADORA2AADORA3CDK1
Noraristeromycin SCHEMBL1231088 0.69 AHCY (1.00) AHCYADORA3
Noraristeromycin SCHEMBL17109603 0.69 AHCY (1.00) AHCYADORA3

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-9549943-B2 A3 adenosine receptor ligands for use in treatment of a sexual dysfunction CAN-FITE BIOPHARMA LTD. (IL) 2017-01-24 US disclosed
US-20150216889-A1 A3 ADENOSINE RECEPTOR LIGANDS FOR USE IN TREATMENT OF A SEXUAL DYSFUNCTION CAN-FITE BIOPHARMA LTD. (IL) 2015-08-06 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
US-20120065155-A1 A3 ADENOSIDE RECEPTOR AGONISTS FOR THE REDUCTION OF INTRAOCULAR PRESSURE CAN-FITE BIOPHARMA LTD. (IL) 2012-03-15 US disclosed
US-20100222369-A1 TREATMENT FOR DRY EYE CONDITIONS CAN-FITE BIOPHARMA LTD. (IL) 2010-09-02 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-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
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 (5 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-20100222369-A1 TREATMENT FOR DRY EYE CONDITIONS ADORA3, ADORA2A, ADORA2B AHCY 432/4885ADORA2A 2/4885ADORA3 1/4885
US-20150216889-A1 A3 ADENOSINE RECEPTOR LIGANDS FOR USE IN TREATMENT OF A SEXUAL DYSFUNCTION ADORA3, ADORA2A, ADORA2B AHCY 618/4885ADORA2A 2/4885ADORA3 1/4885
US-20080300213-A1 Use of A3 Adenosine Receptor Agonist in Osteoarthritis Treatment ADORA3, ADORA2A, ADORA1 AHCY 198/4885ADORA2A 2/4885ADORA3 1/4885
US-20120065155-A1 A3 ADENOSIDE RECEPTOR AGONISTS FOR THE REDUCTION OF INTRAOCULAR PRESSURE ADORA3, ADORA1, ADORA2A AHCY 1800/4885ADORA2A 3/4885ADORA3 1/4885
US-20060084626-A1 Pharmaceutical compositions comprising an adenosine receptor agonist or antagonist ADORA2A, ADORA3, ADORA1 AHCY 714/4885ADORA2A 1/4885ADORA3 2/4885

“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.