SCHEMBL2868531

SCHEMBL2868531

COC(=O)c1ccnc(-c2cc(C(=O)O)ccn2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5C P41229 9/20 1.00
KDM4E B2RXH2 8/20 1.00
KDM4C Q9H3R0 7/20 1.00
KDM2A Q9Y2K7 6/20 1.00
KDM3A Q9Y4C1 6/20 1.00
KDM6B O15054 5/20 1.00
JMJD6 Q6NYC1 2/20 0.66
KDM4A O75164 6/20 0.60
KDM5B Q9UGL1 7/20 0.59
P4HA1 P13674 1/20 0.58
KDM4B O94953 3/20 0.55
ALOX15 P16050 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NPC1 O15118 1/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM5A P29375 3/20 0.51
TSHR P16473 1/20 0.50
TET3 O43151 1/20 0.50

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
SCHEMBL29670732 1.00 KDM5C (1.00) KDM5CKDM4EKDM4CKDM2AKDM3A
SCHEMBL10052344 0.94 KDM5C (0.88) KDM5CKDM4EKDM4CKDM2AKDM3A
SCHEMBL70279 0.93 KDM4E (0.86) KDM5CKDM4EKDM4CKDM2AKDM3A
SCHEMBL29894587 0.93 KDM4E (0.86) KDM5CKDM4EKDM4CKDM2AKDM3A
SCHEMBL6514670 0.91 KDM4E (0.83) KDM5CKDM4EKDM4CKDM2AKDM3A
Hydrochloric Acid SCHEMBL6504834 0.91 KDM4E (0.83) KDM5CKDM4EKDM4CKDM2AKDM3A
SCHEMBL30774379 0.86 KDM4E (0.76) KDM5CKDM4EKDM4CKDM2AKDM3A
SCHEMBL714108 0.86 KDM4E (0.76) KDM5CKDM4EKDM4CKDM2AKDM3A
SCHEMBL19229659 0.86 KDM4E (0.76) KDM5CKDM4EKDM4CKDM2AKDM3A
SCHEMBL70700 0.85 KDM4C (0.78) KDM5CKDM4EKDM4CKDM2AKDM3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114874127-A Preparation method of difluorocarbonylation indolone compound 中国药科大学 2022-08-09 CN claimed
CN-105906555-A Preparation method of 2, 2'-bipyridine-4, 4'-diacrylic acid 河南省商业科学研究所有限责任公司 2016-08-31 CN claimed
CN-115677569-B Synthesis method of pyridines and substituted benzenes based on reduction coupling reaction of iron-catalyzed aryl halide and alkyl halide 重庆大学 2024-05-28 CN disclosed
CN-111378144-A Force-induced response supramolecular polymer 翁秋梅 2020-07-07 CN disclosed
US-10316050-B2 PT (IV) complexes containing 4,4′-disubstituted-2,2′-bipyridyl and their use in cancer therapy THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS (US) 2019-06-11 US disclosed
CN-109438339-A RBP2 enzyme inhibitor small molecule compound WXSA-072A and preparation method thereof and anti-gastric cancer application 山东大学 2019-03-08 CN disclosed
EP-2595613-B1 COMPOUNDS FOR USE IN A METHOD OF PREVENTING OR TREATING VIRAL INFECTION US HEALTH (US) 2019-01-09 EP disclosed
CN-105906555-B The method that one kind prepares 2,2 '-bipyridyl -4,4 '-diacrylate 河南省商业科学研究所有限责任公司 2018-04-24 CN disclosed
US-20170233423-A1 PT (IV) Complexes Containing 4,4'-Disubstituted-2,2'-Bipyridyl and Their Use in Cancer Therapy THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2017-08-17 US disclosed
CN-105906555-A Preparation method of 2, 2'-bipyridine-4, 4'-diacrylic acid 河南省商业科学研究所有限责任公司 2016-08-31 CN disclosed
CN-105906555-A Preparation method of 2, 2'-bipyridine-4, 4'-diacrylic acid 河南省商业科学研究所有限责任公司 2016-08-31 CN disclosed
WO-2016025742-A1 PT(IV) COMPLEXES CONTAINING 4,4'-DISUBSTITUTED-2,2'-BIPYRIDYL AND THEIR USE IN CANCER THERAPY THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS (US) 2016-02-18 WO disclosed
US-8871789-B2 Method of preventing or treating viral infection THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-10-28 US disclosed
US-8871789-B2 Method of preventing or treating viral infection THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-10-28 US disclosed
US-20130123344-A1 METHOD OF PREVENTING OR TREATING VIRAL INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2013-05-16 US disclosed
US-20130123344-A1 METHOD OF PREVENTING OR TREATING VIRAL INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2013-05-16 US disclosed
WO-2012012627-A1 METHOD OF PREVENTING OR TREATING VIRAL INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-01-26 WO disclosed
WO-2010043866-A2 HISTONE LYSINE DEMETHYLASE INHIBITORS ISIS INNOVATION LIMITED (GB) 2010-04-22 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 (3 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-20170233423-A1 PT (IV) Complexes Containing 4,4'-Disubstituted-2,2'-Bipyridyl and Their Use in Cancer Therapy PARP2, ERBB2, TOP2A KDM5C 2747/4885KDM4E 1686/4885KDM4C 1297/4885
US-20130123344-A1 METHOD OF PREVENTING OR TREATING VIRAL INFECTION KDM1B, KDM1A, KDM2A KDM5C 16/4885KDM4E 21/4885KDM4C 20/4885
US-10316050-B2 PT (IV) complexes containing 4,4′-disubstituted-2,2′-bipyridyl and their use in cancer therapy TOP2A, ERBB2, PARP2 KDM5C 2659/4885KDM4E 1661/4885KDM4C 1295/4885

“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.