SCHEMBL1689227

SCHEMBL1689227

CC[CH]C1Oc2ccccc2O1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
ESR2 Q92731 1/20 0.34
CA2 P00918 2/20 0.33
LTA4H P09960 3/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
MTNR1A P48039 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL3636153 0.84 KDM4E (0.39) POLBESR2CA2LTA4HALDH1A1
SCHEMBL3763119 0.73 CA2 (0.45) POLBESR2CA2ALDH1A1HPGD
SCHEMBL3639080 0.73 NISCH (0.35) POLBESR2CA2NISCH
SCHEMBL7777038 0.70 CA2 (0.31) CA2
SCHEMBL7777036 0.70 CA2 (0.31) CA2
SCHEMBL5010302 0.69 CA2 (0.41) CA2ALDH1A1KDM4EHPGDHTT
SCHEMBL7765718 0.69 CA2 (0.32) CA2NISCH
SCHEMBL7765721 0.69 HRH3 (0.34) CA2ALDH1A1NISCHTSHR
SCHEMBL5804269 0.69 NISCH (0.35) CA2NISCHKMT2AMEN1
SCHEMBL5804265 0.69 CA2 (0.32) CA2NISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120214812-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS IRM LLC (BM) 2012-08-23 US claimed
EP-2164849-A2 PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF AEterna Zentaris GmbH (DE) 2010-03-24 EP claimed
US-20090325981-A1 Compounds and compositions as lxr modulators IRM LLC (BM) 2009-12-31 US claimed
US-20090275534-A1 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF ZENTARIS GMBH (DE) 2009-11-05 US claimed
WO-2008138878-A2 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF ÆTERNA ZENTARIS GMBH (DE) 2008-11-20 WO claimed
EP-1990342-A1 Pyridopyrazine Derivatives, Process of Manufacturing and Uses thereof AEterna Zentaris GmbH (DE) 2008-11-12 EP claimed
EP-1713799-A2 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS IRM, LLC (BM) 2006-10-25 EP claimed
WO-2005077124-A2 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS IRM LLC (BM) 2005-08-25 WO claimed
US-20130345220-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS IRM LLC (BM) 2013-12-26 US disclosed
US-8604196-B2 Modulating signal transduction pathways with 1-ethyl-3-[3-(1-methyl-1H-pyrazol-4-yl)-pyrido[2.3-B]pyrazine-6-yl]thiourea AETERNA ZENTARIS GMBH (DE) 2013-12-10 US disclosed
US-8569345-B2 Compounds and compositions as LXR modulators MOLTENI VALENTINA (US) 2013-10-29 US disclosed
US-8536332-B2 Modulating signal transduction pathways with substituted pyridol [2,3-b] pyrazines AETERNA ZENTARIS GMBH (DE) 2013-09-17 US disclosed
US-8507486-B2 Pyridopyrazine derivatives, process of manufacturing and uses thereof AETERNA ZENTARIS GMBH (DE) 2013-08-13 US disclosed
US-20120277219-A1 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF AETERNA ZENTARIS GMBH (DE) 2012-11-01 US disclosed
US-20090325981-A1 Compounds and compositions as lxr modulators IRM LLC (BM) 2009-12-31 US disclosed
US-20090275534-A1 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF ZENTARIS GMBH (DE) 2009-11-05 US disclosed
WO-2008138878-A2 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF ÆTERNA ZENTARIS GMBH (DE) 2008-11-20 WO disclosed
EP-1990342-A1 Pyridopyrazine Derivatives, Process of Manufacturing and Uses thereof AEterna Zentaris GmbH (DE) 2008-11-12 EP disclosed
EP-1713799-A2 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS IRM, LLC (BM) 2006-10-25 EP disclosed
WO-2005077124-A2 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS IRM LLC (BM) 2005-08-25 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 (5 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-20130345220-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS NR1H2, NR1H3, NR1H4 POLB 3374/4885ESR2 49/4885CA2 4724/4885
US-20090275534-A1 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF PNPO, PDXK, MKI67 POLB 836/4885ESR2 4290/4885CA2 4352/4885
US-20120277219-A1 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF PNPO, PDXK, MKI67 POLB 836/4885ESR2 4290/4885CA2 4352/4885
US-20090325981-A1 Compounds and compositions as lxr modulators NR1H2, NR1H3, NR1H4 POLB 3374/4885ESR2 49/4885CA2 4724/4885
US-20120214812-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS NR1H2, NR1H3, NR1H4 POLB 3374/4885ESR2 49/4885CA2 4724/4885

“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.