SCHEMBL3716680

SCHEMBL3716680

CCOC(=O)c1n[nH]c2ccccc2c1=O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.81
POLB P06746 1/20 0.66
MAPT P10636 5/20 0.56
NPC1 O15118 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
RAB9A P51151 4/20 0.56
HTT P42858 3/20 0.56
LMNA P02545 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
STAT3 P40763 1/20 0.56
HIF1A Q16665 1/20 0.56
CYP1A2 P05177 1/20 0.54
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
USP2 O75604 1/20 0.51
TP53 P04637 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL959364 0.90 KDM4E (1.00) KDM4EPOLBMAPTNPC1SMN1; SMN2
SCHEMBL29709972 0.90 KDM4E (1.00) KDM4EPOLBMAPTNPC1SMN1; SMN2
SCHEMBL19384339 0.81 GABRA1 (0.60) KDM4EPOLBMAPTSMN1; SMN2LMNA
SCHEMBL4605496 0.81 KDM4E (0.58) KDM4EPOLBMAPTNPC1SMN1; SMN2
SCHEMBL618089 0.80 POLB (0.58) KDM4EPOLBMAPTNPC1SMN1; SMN2
SCHEMBL13720557 0.79 POLB (1.00) KDM4EPOLBSMN1; SMN2RAB9ALMNA
SCHEMBL25205501 0.79 KDM4E (0.58) KDM4EPOLBMAPTNPC1SMN1; SMN2
SCHEMBL3810014 0.79 KDM4E (0.58) KDM4EPOLBMAPTNPC1SMN1; SMN2
SCHEMBL8249980 0.78 KDM4E (0.74) KDM4EPOLBMAPTNPC1SMN1; SMN2
SCHEMBL1579253 0.77 KDM4E (0.52) KDM4EPOLBNPC1SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 US disclosed
EP-2821401-B1 DIHYDROQUINOLINONE COMPOUNDS AS MODULATORS OF THE MUSCARININC M1 RECEPTOR TAKEDA PHARMACEUTICALS CO (JP) 2020-09-09 EP disclosed
EP-2821401-B1 DIHYDROQUINOLINONE COMPOUNDS AS MODULATORS OF THE MUSCARININC M1 RECEPTOR TAKEDA PHARMACEUTICALS CO (JP) 2020-09-09 EP disclosed
US-9403802-B2 Heterocyclic compound and use therefor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-02 US disclosed
US-9403802-B2 Heterocyclic compound and use therefor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-02 US disclosed
US-9403802-B2 Heterocyclic compound and use therefor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-02 US disclosed
US-20150126487-A1 HETEROCYCLIC COMPOUND AND USE THEREFOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-07 US disclosed
US-20150126487-A1 HETEROCYCLIC COMPOUND AND USE THEREFOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-07 US disclosed
US-20150126487-A1 HETEROCYCLIC COMPOUND AND USE THEREFOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-07 US disclosed
US-8293744-B2 Heterocyclic fused cinnoline M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-10-23 US disclosed
US-20120040978-A1 Heterocyclic Fused Cinnoline M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2012-02-16 US disclosed
US-20120040978-A1 Heterocyclic Fused Cinnoline M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2012-02-16 US disclosed
EP-2398324-A1 PYRAZOLO [4,3-c]CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2011-12-28 EP disclosed
US-20110301167-A1 PYRAZOLO [4,3-c] CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2011-12-08 US disclosed
WO-2010096338-A1 PYRAZOLO [4,3-c] CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2010-08-26 WO disclosed
WO-2009053799-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS, S.A. (US) 2009-04-30 WO disclosed
US-6180630-B1 USEFUL IN THE TREATMENT OF ANXIETY AND CONVULSIONS MERCK SHARP & DOHME LIMITED (GB) 2001-01-30 US disclosed
EP-0991652-A1 TRICYCLIC PYRAZOLO-PYRIDAZINONE ANALOGUES AS GABA-A RECEPTOR LIGANDS MERCK SHARP & DOHME LTD. (GB) 2000-04-12 EP disclosed
WO-1999000391-A1 TRICYCLIC PYRAZOLO-PYRIDAZINONE ANALOGUES AS GABA-A RECEPTOR LIGANDS MERCK SHARP & DOHME LIMITED (GB) 1999-01-07 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-20110301167-A1 PYRAZOLO [4,3-c] CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CNR1, MTNR1A KDM4E 3560/4885POLB 4235/4885MAPT 903/4885
US-20120040978-A1 Heterocyclic Fused Cinnoline M1 Receptor Positive Allosteric Modulators CHRM1, CNR1, CHRNA7 KDM4E 3190/4885POLB 2784/4885MAPT 905/4885
US-20150126487-A1 HETEROCYCLIC COMPOUND AND USE THEREFOR CHRM1, CHRM4, CHRM2 KDM4E 1528/4885POLB 4138/4885MAPT 611/4885
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 KDM4E 3835/4885POLB 3606/4885MAPT 4876/4885

“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.