SCHEMBL3593759

SCHEMBL3593759

Oc1nc2ccccc2nc1-c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.67
MEN1 O00255 1/20 0.67
KDM4E B2RXH2 6/20 0.63
PKM P14618 1/20 0.63
L3MBTL1 Q9Y468 6/20 0.60
LMNA P02545 5/20 0.55
GAA P10253 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
ALDH1A1 P00352 5/20 0.50
PDE10A Q9Y233 3/20 0.50
DHODH Q02127 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
AKT1 P31749 1/20 0.47
AKT2 P31751 1/20 0.47
ATM Q13315 1/20 0.47
TLR9 Q9NR96 1/20 0.47

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
SCHEMBL15135221 0.83 MEN1 (0.50) KMT2AMEN1KDM4EPKML3MBTL1
SCHEMBL732131 0.83 KDM4E (0.74) KMT2AMEN1KDM4EPKML3MBTL1
SCHEMBL29382173 0.83 KDM4E (0.74) KMT2AMEN1KDM4EPKML3MBTL1
SCHEMBL28118425 0.82 ALDH1A1 (0.77) KMT2AMEN1KDM4EL3MBTL1LMNA
SCHEMBL28110243 0.82 KDM4E (0.56) KMT2AMEN1KDM4EPKML3MBTL1
SCHEMBL11267266 0.82 KDM4E (0.56) KMT2AMEN1KDM4EPKML3MBTL1
SCHEMBL3432751 0.81 ACHE (0.59) KMT2AMEN1KDM4EPKML3MBTL1
SCHEMBL13950894 0.80 KDM4E (0.78) KMT2AMEN1KDM4EPKML3MBTL1
SCHEMBL865711 0.80 KDM4E (0.71) KMT2AMEN1KDM4EPKML3MBTL1
SCHEMBL28710728 0.80 KDM4E (0.71) KMT2AMEN1KDM4EPKML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106220575-B A kind of hydrazone compounds and the preparation method and application thereof of the structure of benzopyrazines containing methoxyl group 浙江工业大学 2019-02-22 CN claimed
CN-106243049-B A kind of hydrazone compounds of the structure containing benzopyrazines and the preparation method and application thereof 浙江工业大学 2019-01-15 CN claimed
CN-106243049-A A kind of hydrazone compounds containing benzopyrazines structure and preparation method and application 浙江工业大学 2016-12-21 CN claimed
CN-106220575-A A kind of hydrazone compounds containing methoxyl group benzopyrazines structure and preparation method and application 浙江工业大学 2016-12-14 CN claimed
CN-106234372-B A kind of application of hydrazone compounds of the structure of benzopyrazines containing methoxyl group as fungicide 浙江工业大学 2019-06-21 CN disclosed
CN-106234371-B A kind of application of hydrazone compounds of the structure containing benzopyrazines as fungicide 浙江工业大学 2019-04-26 CN disclosed
CN-106220575-B A kind of hydrazone compounds and the preparation method and application thereof of the structure of benzopyrazines containing methoxyl group 浙江工业大学 2019-02-22 CN disclosed
CN-106243049-B A kind of hydrazone compounds of the structure containing benzopyrazines and the preparation method and application thereof 浙江工业大学 2019-01-15 CN disclosed
US-9763938-B2 Substituted quinoxalines as positive allosteric modulators of mGluR4 MERCK PATENT GMBH (DE) 2017-09-19 US disclosed
US-9763938-B2 Substituted quinoxalines as positive allosteric modulators of mGluR4 MERCK PATENT GMBH (DE) 2017-09-19 US disclosed
US-9763938-B2 Substituted quinoxalines as positive allosteric modulators of mGluR4 MERCK PATENT GMBH (DE) 2017-09-19 US disclosed
CN-106234372-A A kind of hydrazone compounds containing methoxyl group benzopyrazines structure is as the application of antibacterial 浙江工业大学 2016-12-21 CN disclosed
WO-2012092409-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARARMACEUTICALS, INC (US) 2012-07-05 WO disclosed
US-20120172291-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ABBVIE INC. 2012-07-05 US disclosed
US-20120172291-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ABBVIE INC. 2012-07-05 US disclosed
CN-101685733-A High-temperature thermal fuse device THERM O DISC INC 2010-03-31 CN disclosed
US-20100029658-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2010-02-04 US disclosed
US-20100029658-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2010-02-04 US disclosed
EP-2061764-A1 HETEROCYCLIC DERIVATIVES BINDING TO THE PERIPHERAL-TYPE BENZODIAZEPINE RECEPTOR (PBR) Technion Research & Development Foundation LTD. (IL) 2009-05-27 EP disclosed
WO-2008023357-A1 HETEROCYCLIC DERIVATIVES BINDING TO THE PERIPHERAL-TYPE BENZODIAZEPINE RECEPTOR (PBR) TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2008-02-28 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 (2 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-20120172291-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS15, PRSS1, SPINT2 KMT2A 3992/4885MEN1 3179/4885KDM4E 3420/4885
US-20100029658-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF NQO1, SIRT5, KEAP1 KMT2A 2240/4885MEN1 1210/4885KDM4E 1814/4885

“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.