SCHEMBL936822

SCHEMBL936822

Clc1ccc(Nc2nc3ccccc3c3[nH]c(-c4ccccc4)nc23)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.57
TMEM97 Q5BJF2 7/20 0.54
SIGMAR1 Q99720 6/20 0.54
DRD3 P35462 2/20 0.54
CYP1A2 P05177 1/20 0.54
KCNH2 Q12809 1/20 0.54
HTR2B P41595 2/20 0.53
NPY5R Q15761 1/20 0.52
OPRM1 P35372 1/20 0.51
SLC6A3 Q01959 1/20 0.51
TYMS P04818 1/20 0.50
MET P08581 2/20 0.49
KDR P35968 2/20 0.49

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
SCHEMBL1423843 0.87 ADORA3 (0.53) ADORA3TMEM97SIGMAR1DRD3CYP1A2
SCHEMBL1423852 0.85 ADORA3 (0.52) ADORA3TMEM97SIGMAR1DRD3CYP1A2
SCHEMBL1423842 0.79 ADORA3 (0.83) ADORA3TMEM97SIGMAR1DRD3CYP1A2
SCHEMBL31326351 0.79 ADORA3 (0.83) ADORA3TMEM97SIGMAR1DRD3CYP1A2
SCHEMBL1423784 0.79 ADORA3 (0.86) ADORA3TMEM97SIGMAR1DRD3CYP1A2
SCHEMBL1423650 0.79 ADORA3 (0.56) ADORA3TMEM97SIGMAR1DRD3CYP1A2
SCHEMBL31040981 0.78 ADORA3 (0.86) ADORA3TMEM97SIGMAR1DRD3CYP1A2
SCHEMBL29524237 0.78 ADORA3 (0.86) ADORA3TMEM97SIGMAR1DRD3CYP1A2
SCHEMBL936823 0.78 ADORA3 (0.86) ADORA3TMEM97SIGMAR1DRD3CYP1A2
SCHEMBL1423980 0.78 ADORA3 (0.86) ADORA3TMEM97SIGMAR1DRD3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230201240-A1 TREATMENT OF ADVANCED METASTATIC CANCER CAN-FITE BIOPHARMA LTD. (IL) 2023-06-29 US claimed
US-20220079968-A1 AN A3 ADENOSINE RECEPTOR LIGAND FOR USE FOR ACHIEVING A FAT LOSS EFFECT CAN-FITE BIOPHARMA LTD. (IL) 2022-03-17 US claimed
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 claimed
US-20210069227-A1 A3 ADENOSINE RECEPTOR LIGAND FOR MANAGING CYTOKINE RELEASE SYNDROME CAN-FITE BIOPHARMA LTD (IL) 2021-03-11 US claimed
CN-111447953-A A3 adenosine receptor ligands for the management of cytokine release syndrome 康菲生物制药有限公司 2020-07-24 CN claimed
WO-2020141535-A1 AN A3 ADENOSINE RECEPTOR LIGAND FOR USE FOR ACHIEVING A FAT LOSS EFFECT CAN-FITE BIOPHARMA LTD. (IL) 2020-07-09 WO claimed
EP-3530273-A2 A3 ADENOSINE RECEPTOR LIGANDS FOR USE IN TREATMENT OF A SEXUAL DYSFUNCTION Can-Fite Biopharma Ltd. (IL) 2019-08-28 EP claimed
EP-3380104-A1 AN A3 ADENOSINE RECEPTOR LIGAND FOR USE IN TREATING ECTOPIC FAT ACCUMULATION Can-Fite Biopharma Ltd. (IL) 2018-10-03 EP claimed
WO-2017090036-A1 AN A3 ADENOSINE RECEPTOR LIGAND FOR USE IN TREATING ECTOPIC FAT ACCUMULATION CAN-FITE BIOPHARMA LTD. (IL) 2017-06-01 WO 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 claimed
US-20150216889-A1 A3 ADENOSINE RECEPTOR LIGANDS FOR USE IN TREATMENT OF A SEXUAL DYSFUNCTION CAN-FITE BIOPHARMA LTD. (IL) 2015-08-06 US claimed
EP-2892533-A1 A3 ADENOSINE RECEPTOR LIGANDS FOR USE IN TREATMENT OF A SEXUAL DYSFUNCTION Can-Fite Biopharma Ltd. (IL) 2015-07-15 EP claimed
WO-2014024195-A1 A3 ADENOSINE RECEPTOR LIGANDS FOR USE IN TREATMENT OF A SEXUAL DYSFUNCTION CAN-FITE BIOPHARMA LTD. (IL) 2014-02-13 WO claimed
US-20130197025-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS UNIVERSITEIT LEIDEN (NL) 2013-08-01 US claimed
US-8420664-B2 A3 adenosine receptor allosteric modulators THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2013-04-16 US claimed
US-20120270829-A1 USE OF ADENOSINE A3 RECEPTOR AGONISTS FOR TREATMENT OF NEUROPATHIC PAIN SAINT LOUIS UNIVERSITY (US) 2012-10-25 US claimed
EP-1983990-B1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS US GOV HEALTH & HUMAN SERV (US) 2011-03-23 EP claimed
US-20090054476-A1 A3 Adenosine receptor allosteric modulators THE GOVERNMENT OF THE U.S.A., REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2009-02-26 US claimed
EP-1983990-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS Government of the United States of America as represented by The Secretary of the Department of Health and Human Services (US) 2008-10-29 EP claimed
WO-2007089507-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2007-08-09 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20220079968-A1 AN A3 ADENOSINE RECEPTOR LIGAND FOR USE FOR ACHIEVING A FAT LOSS EFFECT ADORA2A, ADORA3, FABP4 ADORA3 2/4885TMEM97 1674/4885SIGMAR1 994/4885
US-20230201240-A1 TREATMENT OF ADVANCED METASTATIC CANCER ADORA3, ADORA2A, ADORA1 ADORA3 1/4885TMEM97 1034/4885SIGMAR1 758/4885
US-20210069227-A1 A3 ADENOSINE RECEPTOR LIGAND FOR MANAGING CYTOKINE RELEASE SYNDROME ADORA3, ADORA2A, IL1RN ADORA3 1/4885TMEM97 2490/4885SIGMAR1 1443/4885
US-20150216889-A1 A3 ADENOSINE RECEPTOR LIGANDS FOR USE IN TREATMENT OF A SEXUAL DYSFUNCTION ADORA3, ADORA2A, ADORA2B ADORA3 1/4885TMEM97 518/4885SIGMAR1 237/4885
US-20130197025-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS ADORA3, ADORA2A, ADORA1 ADORA3 1/4885TMEM97 801/4885SIGMAR1 192/4885
US-20090054476-A1 A3 Adenosine receptor allosteric modulators ADORA3, ADORA2A, ADORA1 ADORA3 1/4885TMEM97 621/4885SIGMAR1 221/4885

“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.