SCHEMBL447258

SCHEMBL447258

Nc1nc(Cl)nc2c1ncn2[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AHCY P23526 6/20 0.73
ADORA3 P0DMS8 6/20 0.64
ADORA2A P29274 2/20 0.64
ADORA1 P30542 2/20 0.64
PNP P00491 1/20 0.58
LMNA P02545 1/20 0.58
TP53 P04637 1/20 0.58
HTT P42858 1/20 0.58
PDE4D Q08499 1/20 0.58
PDE3A Q14432 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
HSP90AA1 P07900 1/20 0.54
HSP90B1 P14625 1/20 0.54
TMEM97 Q5BJF2 1/20 0.54
SIGMAR1 Q99720 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
SCHEMBL29501905 1.00 AHCY (0.73) AHCYADORA3ADORA2AADORA1PNP
SCHEMBL26381988 0.86 AHCY (0.57) AHCYADORA3ADORA2AADORA1PNP
SCHEMBL26382000 0.84 AHCY (0.55) AHCYADORA3ADORA2AADORA1
SCHEMBL590063 0.81 ADORA2A (0.61) AHCYADORA3ADORA2AADORA1PNP
SCHEMBL29319896 0.80 PDE4D (0.62) AHCYADORA3ADORA2AADORA1PNP
Trifluoroacetic Acid SCHEMBL5201752 0.80 AHCY (0.56) AHCYADORA3ADORA2AADORA1PNP
Trifluoroacetic Acid SCHEMBL242557 0.80 AHCY (0.56) AHCYADORA3ADORA2AADORA1PNP
Trifluoroacetic Acid SCHEMBL293707 0.80 AHCY (0.56) AHCYADORA3ADORA2AADORA1PNP
Noraristeromycin SCHEMBL17117186 0.80 AHCY (1.00) AHCYADORA3
Noraristeromycin SCHEMBL19644993 0.80 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 13 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
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-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 432/4885ADORA3 1/4885ADORA2A 2/4885
US-20150216889-A1 A3 ADENOSINE RECEPTOR LIGANDS FOR USE IN TREATMENT OF A SEXUAL DYSFUNCTION ADORA3, ADORA2A, ADORA2B AHCY 618/4885ADORA3 1/4885ADORA2A 2/4885
US-20080300213-A1 Use of A3 Adenosine Receptor Agonist in Osteoarthritis Treatment ADORA3, ADORA2A, ADORA1 AHCY 198/4885ADORA3 1/4885ADORA2A 2/4885
US-20120065155-A1 A3 ADENOSIDE RECEPTOR AGONISTS FOR THE REDUCTION OF INTRAOCULAR PRESSURE ADORA3, ADORA1, ADORA2A AHCY 1800/4885ADORA3 1/4885ADORA2A 3/4885
US-20060084626-A1 Pharmaceutical compositions comprising an adenosine receptor agonist or antagonist ADORA2A, ADORA3, ADORA1 AHCY 714/4885ADORA3 2/4885ADORA2A 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.