SCHEMBL717382

SCHEMBL717382

c1ccc(-c2nc3c(nc2-c2ccccc2)CCCC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
MITF O75030 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TP53 P04637 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43

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
SCHEMBL24819490 0.81 ALDH1A1 (0.46) KDM4EALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL716608 0.77 KMT2A (0.52) KDM4EKMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL361031 0.77 CYP3A4 (0.41) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL65673 0.76 KMT2A (0.59) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL17942583 0.76 CYP3A4 (0.43) KDM4EKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL28151465 0.74 KDM4E (0.50) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL27430582 0.74 CYP3A4 (0.49) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL14380289 0.73 KMT2A (0.56) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL13639510 0.73 HTR2A (0.50) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL10444960 0.73 HRH3 (0.62) KDM4EMEN1KMT2AALDH1A1SMN1; 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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9763938-B2 Substituted quinoxalines as positive allosteric modulators of mGluR4 MERCK PATENT GMBH (DE) 2017-09-19 US claimed
US-20160317533-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR4 MERCK PATENT GMBH (DE) 2016-11-03 US claimed
US-20150374687-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR4 MERCK PATENT GMBH (DE) 2015-12-31 US claimed
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
US-20160317533-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR4 MERCK PATENT GMBH (DE) 2016-11-03 US disclosed
US-20160317533-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR4 MERCK PATENT GMBH (DE) 2016-11-03 US disclosed
US-20160317533-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR4 MERCK PATENT GMBH (DE) 2016-11-03 US disclosed
US-20150374687-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR4 MERCK PATENT GMBH (DE) 2015-12-31 US disclosed
US-20150374687-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR4 MERCK PATENT GMBH (DE) 2015-12-31 US disclosed
US-20120049727-A1 Organometallic Complex, and Light-Emitting Device and Electronic Appliance Using the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-03-01 US disclosed
US-8053974-B2 Organometallic complex, and light emitting device and electronic appliance using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-11-08 US disclosed
US-8053974-B2 Organometallic complex, and light emitting device and electronic appliance using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-11-08 US disclosed
US-8053974-B2 Organometallic complex, and light emitting device and electronic appliance using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-11-08 US disclosed
US-20090033209-A1 Organometallic Complex, And Light Emitting Device And Electronic Appliance Using the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-02-05 US disclosed
US-20090033209-A1 Organometallic Complex, And Light Emitting Device And Electronic Appliance Using the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-02-05 US disclosed
US-20090033209-A1 Organometallic Complex, And Light Emitting Device And Electronic Appliance Using the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-02-05 US disclosed
EP-1866321-A1 ORGANOMETALLIC COMPLEX, AND LIGHT-EMITTING DEVICE AND ELECTRONIC APPLIANCE USING THE SAME SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2007-12-19 EP disclosed
WO-2006104177-A1 ORGANOMETALLIC COMPLEX, AND LIGHT-EMITTING DEVICE AND ELECTRONIC APPLIANCE USING THE SAME SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2006-10-05 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 (4 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-20120049727-A1 Organometallic Complex, and Light-Emitting Device and Electronic Appliance Using the Same AFF1, AP3M1, AP2M1 KDM4E 1033/4885MEN1 649/4885KMT2A 515/4885
US-20150374687-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR4 GRM4, GRIK4, GRIA4 KDM4E 369/4885MEN1 4409/4885KMT2A 793/4885
US-20090033209-A1 Organometallic Complex, And Light Emitting Device And Electronic Appliance Using the Same AFF1, AP3M1, AP2M1 KDM4E 1055/4885MEN1 634/4885KMT2A 534/4885
US-20160317533-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR4 GRM4, GRIA4, GRIK4 KDM4E 379/4885MEN1 4389/4885KMT2A 1113/4885

“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.