SCHEMBL449338

SCHEMBL449338

CSc1nc(NCc2cccc(I)c2)c2ncn(C)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 4/20 0.53
KDM4E B2RXH2 1/20 0.48
CCNB2 O95067 1/20 0.48
CCNE2 O96020 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
GAA P10253 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
CCNB1 P14635 1/20 0.48
ALOX15 P16050 1/20 0.48
NFKB1 P19838 1/20 0.48
CCNA2 P20248 1/20 0.48
CCNE1 P24864 1/20 0.48
CDK2 P24941 1/20 0.48
MAPK3 P27361 1/20 0.48
MAPK1 P28482 1/20 0.48
CCNA1 P78396 1/20 0.48
CDK5 Q00535 1/20 0.48

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
SCHEMBL29501824 1.00 CDK1 (0.53) CDK1KDM4ECCNB2CCNE2ALDH1A1
SCHEMBL29501922 0.87 CDK1 (0.51) CDK1KDM4ECCNB2CCNE2ALDH1A1
SCHEMBL447291 0.87 CDK1 (0.51) CDK1KDM4ECCNB2CCNE2ALDH1A1
SCHEMBL448405 0.84 CDK1 (0.74) CDK1CCNE2CCNE1CDK2PPARG
SCHEMBL3059627 0.84 CDK1 (0.74) CDK1KDM4ECCNB2CCNE2ALDH1A1
SCHEMBL29501930 0.83 CDK1 (0.57) CDK1KDM4ECCNB2CCNE2ALDH1A1
SCHEMBL450530 0.83 CDK1 (0.57) CDK1KDM4ECCNB2CCNE2ALDH1A1
SCHEMBL450636 0.83 CDK1 (0.54) CDK1KDM4ECCNB2CCNE2ALDH1A1
SCHEMBL447252 0.83 ADORA3 (0.59) CDK1KDM4ECCNB2CCNE2ALDH1A1
SCHEMBL461976 0.83 CDK1 (0.56) CDK1KDM4ECCNB2CCNE2ALDH1A1

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 4171/4885KDM4E 2513/4885CCNB2 3891/4885
US-20200384009-A1 A3 ADENOSINE RECEPTOR LIGAND FOR USE IN TREATING ECTOPIC FAT ACCUMULATION GPR119, ADORA2A, FABP4 CDK1 4761/4885KDM4E 3381/4885CCNB2 3477/4885
US-20230201240-A1 TREATMENT OF ADVANCED METASTATIC CANCER ADORA3, ADORA2A, ADORA1 CDK1 1237/4885KDM4E 3373/4885CCNB2 1798/4885
US-20210069227-A1 A3 ADENOSINE RECEPTOR LIGAND FOR MANAGING CYTOKINE RELEASE SYNDROME ADORA3, ADORA2A, IL1RN CDK1 4077/4885KDM4E 4799/4885CCNB2 4744/4885
US-20060084626-A1 Pharmaceutical compositions comprising an adenosine receptor agonist or antagonist ADORA2A, ADORA3, ADORA1 CDK1 1240/4885KDM4E 4771/4885CCNB2 1303/4885

“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.