SCHEMBL1661610

SCHEMBL1661610

Cc1ccn2c(=O)cc(-c3ccccc3)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.62
ALDH1A1 P00352 3/20 0.62
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
RAD51 Q06609 3/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
CGAS Q8N884 1/20 0.50
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
TP53 P04637 3/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 1/20 0.47
PARP1 P09874 1/20 0.46
HPGD P15428 2/20 0.46
GFER P55789 1/20 0.46

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
SCHEMBL8101672 0.90 KDM4E (0.65) KDM4EALDH1A1NPC1RAB9ARAD51
SCHEMBL8100199 0.89 KDM4E (0.64) KDM4EALDH1A1NPC1RAB9ARAD51
SCHEMBL8108176 0.86 KDM4E (0.56) KDM4EALDH1A1NPC1RAB9ARAD51
SCHEMBL8100226 0.85 KDM4E (0.59) KDM4EALDH1A1NPC1RAB9ARAD51
SCHEMBL7925160 0.85 KDM4E (0.59) KDM4EALDH1A1NPC1RAB9ARAD51
SCHEMBL8102024 0.85 ALDH1A1 (0.55) KDM4EALDH1A1NPC1RAB9AMEN1
SCHEMBL8101681 0.83 KDM4E (0.61) KDM4EALDH1A1NPC1RAB9AMEN1
SCHEMBL8105784 0.83 KDM4E (0.52) KDM4EALDH1A1NPC1RAB9AMEN1
SCHEMBL1658724 0.82 RAB9A (0.47) KDM4EALDH1A1NPC1RAB9ARAD51
SCHEMBL18015437 0.82 RAB9A (0.51) KDM4EALDH1A1NPC1RAB9ARAD51

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2984093-B1 METAL COMPLEXES AND USE THEREOF IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-09-26 EP disclosed
US-20160308149-A1 Metal Complexes and Use Thereof in Electronic Devices MERCK PATENT GMBH (DE) 2016-10-20 US disclosed
US-20160308149-A1 Metal Complexes and Use Thereof in Electronic Devices MERCK PATENT GMBH (DE) 2016-10-20 US disclosed
US-20150011544-A1 COMPOUNDS OF ESTROGEN-RELATED RECEPTOR MODULATORS AND THE USES THEREOF GUANGZHOU INST OF BIOMEDICINE & HEALTH CHINESE ACADEMY OF SCIENCES (CN) 2015-01-08 US disclosed
US-20150011544-A1 COMPOUNDS OF ESTROGEN-RELATED RECEPTOR MODULATORS AND THE USES THEREOF GUANGZHOU INST OF BIOMEDICINE & HEALTH CHINESE ACADEMY OF SCIENCES (CN) 2015-01-08 US disclosed
US-20150011544-A1 COMPOUNDS OF ESTROGEN-RELATED RECEPTOR MODULATORS AND THE USES THEREOF GUANGZHOU INST OF BIOMEDICINE & HEALTH CHINESE ACADEMY OF SCIENCES (CN) 2015-01-08 US disclosed
EP-2314588-B1 4H-Pyrido[1,2-a]pyrimidin-4-one derivatives as modulators of the estrogen-related receptors GUANGZHOU INST BIOMED & HEALTH (CN) 2014-11-05 EP disclosed
EP-2314588-B1 4H-Pyrido[1,2-a]pyrimidin-4-one derivatives as modulators of the estrogen-related receptors GUANGZHOU INST BIOMED & HEALTH (CN) 2014-11-05 EP disclosed
WO-2014166577-A1 METAL COMPLEXES AND USE THEREOF IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2014-10-16 WO disclosed
US-8853221-B2 Compounds of estrogen-related receptor modulators and the uses thereof GUANGZHOU INSTITUTE OF BIOMEDICINE & HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2014-10-07 US disclosed
US-8853221-B2 Compounds of estrogen-related receptor modulators and the uses thereof GUANGZHOU INSTITUTE OF BIOMEDICINE & HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2014-10-07 US disclosed
US-8853221-B2 Compounds of estrogen-related receptor modulators and the uses thereof GUANGZHOU INSTITUTE OF BIOMEDICINE & HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2014-10-07 US disclosed
CN-101628913-B Compounds useful as estrogen-related receptor modulators and uses thereof GUANGZHOU INST BIOMED & HEALTH 2013-01-23 CN disclosed
US-20110218196-A1 COMPOUNDS OF ESTROGEN-RELATED RECEPTOR MODULATORS AND THE USES THEREOF GUANGZHOU INSTITUTE OF BIOMEDICINE & HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2011-09-08 US disclosed
US-20110218196-A1 COMPOUNDS OF ESTROGEN-RELATED RECEPTOR MODULATORS AND THE USES THEREOF GUANGZHOU INSTITUTE OF BIOMEDICINE & HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2011-09-08 US disclosed
US-20110218196-A1 COMPOUNDS OF ESTROGEN-RELATED RECEPTOR MODULATORS AND THE USES THEREOF GUANGZHOU INSTITUTE OF BIOMEDICINE & HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2011-09-08 US disclosed
EP-2314588-A1 COMPOUNDS OF ESTROGEN-RELATED RECEPTOR MODULATORS AND THE USES THEREOF Guangzhou Institute Of Biomedicine And Health, Chinese Academy Of Sciences (CN) 2011-04-27 EP disclosed
EP-2314588-A1 COMPOUNDS OF ESTROGEN-RELATED RECEPTOR MODULATORS AND THE USES THEREOF Guangzhou Institute Of Biomedicine And Health, Chinese Academy Of Sciences (CN) 2011-04-27 EP disclosed
CN-101628913-A Compounds useful as estrogen-related receptor modulators and uses thereof GUANGZHOU INST BIOMED & HEALTH 2010-01-20 CN 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-20110218196-A1 COMPOUNDS OF ESTROGEN-RELATED RECEPTOR MODULATORS AND THE USES THEREOF ESRRA, ESRRB, ESRRG KDM4E 1123/4885ALDH1A1 594/4885NPC1 1501/4885
US-20150011544-A1 COMPOUNDS OF ESTROGEN-RELATED RECEPTOR MODULATORS AND THE USES THEREOF ESRRA, ESRRB, ESRRG KDM4E 1123/4885ALDH1A1 594/4885NPC1 1501/4885
US-20160308149-A1 Metal Complexes and Use Thereof in Electronic Devices SOD1, SOD3, AP1M1 KDM4E 2991/4885ALDH1A1 3181/4885NPC1 4152/4885

“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.