SCHEMBL1658643

SCHEMBL1658643

Cc1cccn2c(=O)cc(-c3ccccc3)nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
KDM4E B2RXH2 6/20 0.55
HPGD P15428 4/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
HSD17B10 Q99714 2/20 0.55
TP53 P04637 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TSHR P16473 1/20 0.55
GAA P10253 3/20 0.52
GLA P06280 2/20 0.52
ATM Q13315 1/20 0.52
PKM P14618 1/20 0.48
RAD51 Q06609 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 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
SCHEMBL909871 0.88 GSK3B (0.48) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL16175949 0.83 KDM4E (0.47) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL2902446 0.82 KDM4E (0.60) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL15174164 0.80 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL11813953 0.79 KDM4E (0.69) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL910226 0.77 GSK3B (0.58) ALDH1A1KDM4EHPGDNPSR1MEN1
SCHEMBL30508474 0.77 HTT (0.57) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL1835974 0.77 PSEN1 (0.45) KDM4ERAB9ASMN1; SMN2KMT2ACDC7
SCHEMBL876113 0.76 KDM4E (0.52) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL875685 0.76 KDM4E (0.56) ALDH1A1KDM4EHPGDNPSR1HSD17B10

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 ALDH1A1 594/4885KDM4E 1123/4885HPGD 1120/4885
US-20150011544-A1 COMPOUNDS OF ESTROGEN-RELATED RECEPTOR MODULATORS AND THE USES THEREOF ESRRA, ESRRB, ESRRG ALDH1A1 594/4885KDM4E 1123/4885HPGD 1120/4885
US-20160308149-A1 Metal Complexes and Use Thereof in Electronic Devices SOD1, SOD3, AP1M1 ALDH1A1 3181/4885KDM4E 2991/4885HPGD 2725/4885

“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.