SCHEMBL450536

SCHEMBL450536

Cn1cnc2c(N)nc(Cc3cccc(I)c3)nc21

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.45
AKT1 P31749 1/20 0.42
ADORA1 P30542 3/20 0.38
ADORA2A P29274 2/20 0.38
ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL8647716 0.84 CDK1 (0.52) CDK1ADORA1ADORA2AADORA3
SCHEMBL465001 0.84 ADORA2A (0.45) CDK1ADORA1ADORA2AADORA3
SCHEMBL448404 0.83 PPARG (0.41) AKT1ADORA1ADORA2AADORA3
SCHEMBL465000 0.83 CDK1 (0.40) CDK1AKT1
SCHEMBL448173 0.80 ADORA2A (0.40) ADORA1ADORA2AADORA3
SCHEMBL449667 0.80 ADORA2A (0.38) ADORA1ADORA2A
SCHEMBL447288 0.78 ADORA2A (0.49) ADORA1ADORA2AADORA3
SCHEMBL7743666 0.74 ADORA3 (0.69) ADORA1ADORA2AADORA3
SCHEMBL3059627 0.73 CDK1 (0.74) CDK1ADORA1ADORA2AADORA3
SCHEMBL448638 0.72 CDC7 (0.37) AKT1ADORA1ADORA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825102-B2 Treatment of dry eye conditions CAN-FITE BIOPHARMA LTD. (IL) 2010-11-02 US claimed
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-20230201240-A1 TREATMENT OF ADVANCED METASTATIC CANCER CAN-FITE BIOPHARMA LTD. (IL) 2023-06-29 US disclosed
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
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-20210069227-A1 A3 ADENOSINE RECEPTOR LIGAND FOR MANAGING CYTOKINE RELEASE SYNDROME CAN-FITE BIOPHARMA LTD (IL) 2021-03-11 US 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
EP-1959939-A1 USE OF A3 ADENOSINE RECEPTOR AGONIST IN OSTEOARTHRITIS TREATMENT Can-Fite Biopharma Ltd. (IL) 2008-08-27 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
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
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
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
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

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-20070099865-A1 Treatment of dry eye conditions ADORA3, ADORA2A, ADORA2B CDK1 4171/4885AKT1 3676/4885ADORA1 5/4885
US-20200384009-A1 A3 ADENOSINE RECEPTOR LIGAND FOR USE IN TREATING ECTOPIC FAT ACCUMULATION GPR119, ADORA2A, FABP4 CDK1 4761/4885AKT1 3534/4885ADORA1 11/4885
US-20230201240-A1 TREATMENT OF ADVANCED METASTATIC CANCER ADORA3, ADORA2A, ADORA1 CDK1 1237/4885AKT1 1678/4885ADORA1 3/4885
US-20210069227-A1 A3 ADENOSINE RECEPTOR LIGAND FOR MANAGING CYTOKINE RELEASE SYNDROME ADORA3, ADORA2A, IL1RN CDK1 4077/4885AKT1 3253/4885ADORA1 5/4885
US-20060084626-A1 Pharmaceutical compositions comprising an adenosine receptor agonist or antagonist ADORA2A, ADORA3, ADORA1 CDK1 1240/4885AKT1 1131/4885ADORA1 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.