SCHEMBL1423938

SCHEMBL1423938

Clc1ccc(Nc2nc3cnc4ccccc4c3[nH]2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.47
POLA1 P09884 1/20 0.46
NPY5R Q15761 1/20 0.46
TMEM97 Q5BJF2 7/20 0.44
SIGMAR1 Q99720 6/20 0.44
KDR P35968 2/20 0.44
DRD3 P35462 2/20 0.44
MET P08581 1/20 0.44
CYP1A2 P05177 1/20 0.44
KCNH2 Q12809 1/20 0.44
HTR2B P41595 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
OPRM1 P35372 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SLC2A1 P11166 1/20 0.41
EGFR P00533 1/20 0.41

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
SCHEMBL22191263 0.80 ADORA3 (0.47) ADORA3NPY5RTMEM97SIGMAR1KDR
SCHEMBL1999899 0.77 MEN1 (0.61) POLA1NPY5RCYP1A2MEN1KMT2A
SCHEMBL1490746 0.74 KDM4E (0.42)
SCHEMBL1423650 0.69 ADORA3 (0.56) ADORA3NPY5RTMEM97SIGMAR1DRD3
SCHEMBL5569266 0.69 EGFR (0.77) NPY5RKDRMETRAB9AEGFR
SCHEMBL936822 0.68 ADORA3 (0.57) ADORA3NPY5RTMEM97SIGMAR1KDR
SCHEMBL6091625 0.66 NPY5R (0.57) ADORA3POLA1NPY5RTMEM97SIGMAR1
SCHEMBL27397193 0.66 NPY5R (0.57) ADORA3NPY5RTMEM97SIGMAR1DRD3
SCHEMBL18418447 0.66 MEN1 (0.57) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL2002403 0.66 MEN1 (0.57) MEN1KMT2AMAPTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9326978-B2 A3 adenosine receptor allosteric modulators THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2016-05-03 US 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-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
US-20230201240-A1 TREATMENT OF ADVANCED METASTATIC CANCER CAN-FITE BIOPHARMA LTD. (IL) 2023-06-29 US 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
US-10780106-B2 Method for treating NASH accompanied by fibrosis using Cl-IB-MECA CAN-FITE BIOPHARMA LTD. (IL) 2020-09-22 US disclosed
WO-2014024195-A1 A3 ADENOSINE RECEPTOR LIGANDS FOR USE IN TREATMENT OF A SEXUAL DYSFUNCTION CAN-FITE BIOPHARMA LTD. (IL) 2014-02-13 WO disclosed
US-20130197025-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS UNIVERSITEIT LEIDEN (NL) 2013-08-01 US disclosed
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 disclosed
EP-1983990-B1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS US GOV HEALTH & HUMAN SERV (US) 2011-03-23 EP disclosed
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 disclosed
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 disclosed
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 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 (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-20200384009-A1 A3 ADENOSINE RECEPTOR LIGAND FOR USE IN TREATING ECTOPIC FAT ACCUMULATION GPR119, ADORA2A, FABP4 ADORA3 5/4885POLA1 2023/4885NPY5R 1873/4885
US-20230201240-A1 TREATMENT OF ADVANCED METASTATIC CANCER ADORA3, ADORA2A, ADORA1 ADORA3 1/4885POLA1 2767/4885NPY5R 2068/4885
US-20210069227-A1 A3 ADENOSINE RECEPTOR LIGAND FOR MANAGING CYTOKINE RELEASE SYNDROME ADORA3, ADORA2A, IL1RN ADORA3 1/4885POLA1 4758/4885NPY5R 619/4885
US-20130197025-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS ADORA3, ADORA2A, ADORA1 ADORA3 1/4885POLA1 2986/4885NPY5R 1323/4885
US-20090054476-A1 A3 Adenosine receptor allosteric modulators ADORA3, ADORA2A, ADORA1 ADORA3 1/4885POLA1 2730/4885NPY5R 636/4885
US-10780106-B2 Method for treating NASH accompanied by fibrosis using Cl-IB-MECA GPR119, FABP1, INSR ADORA3 13/4885POLA1 1602/4885NPY5R 2499/4885

“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.