SCHEMBL3049180

SCHEMBL3049180

OC[C@H](O)Cn1cnc2c(NCc3cccc(I)c3)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 11/20 0.58
▸ ADORA2A P29274 9/20 0.55
▸ ADORA1 P30542 8/20 0.55
▸ ADORA2B P29275 2/20 0.55

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
SCHEMBL3055654 1.00 ADORA3 (0.58) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL29501856 1.00 ADORA3 (0.58) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL29501809 0.85 ADORA3 (0.59) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6013498 0.80 ADORA3 (0.68) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL29501915 0.79 ADORA2A (0.53) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL22349409 0.78 CDK1 (0.73) ADORA3ADORA2AADORA1
SCHEMBL29501881 0.78 CDK1 (0.73) ADORA3ADORA2AADORA1
SCHEMBL8936762 0.78 ADORA3 (0.55) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL29703267 0.76 PPARG (0.76) ADORA3ADORA2AADORA1
SCHEMBL29703231 0.76 PPARG (0.76) ADORA3ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060084626-A1 Pharmaceutical compositions comprising an adenosine receptor agonist or antagonist CAN-FITE BIOPHARMA LTD. (IL) 2006-04-20 — — US claimed
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
EP-3530273-A2 A3 ADENOSINE RECEPTOR LIGANDS FOR USE IN TREATMENT OF A SEXUAL DYSFUNCTION Can-Fite Biopharma Ltd. (IL) 2019-08-28 — — EP disclosed
US-20100222369-A1 TREATMENT FOR DRY EYE CONDITIONS CAN-FITE BIOPHARMA LTD. (IL) 2010-09-02 — — US disclosed
US-7696150-B2 Modulation of the activity of an interleukin 17 receptor-related protein, EVI27, and uses thereof BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2010-04-13 — — US disclosed
US-7094886-B2 Evi27 gene sequences and protein encoded thereby BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2006-08-22 — — US disclosed
US-20050208572-A1 EV127 gene sequences and protein encoded thereby THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS SYSTEM 2005-09-22 — — US disclosed
US-20020102639-A1 Evi27 gene sequences and protein encoded thereby BIOVENTURES, LLC 2002-08-01 — — US disclosed
WO-2001057202-A2 EVI27 GENE SEQUENCES AND PROTEIN ENCODED THEREBY THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2001-08-09 — — 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 (2 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 ADORA3 1/4885ADORA2A 2/4885ADORA1 4/4885
US-20060084626-A1 Pharmaceutical compositions comprising an adenosine receptor agonist or antagonist ADORA2A, ADORA3, ADORA1 ADORA3 2/4885ADORA2A 1/4885ADORA1 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.

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