SCHEMBL4680971

SCHEMBL4680971

O=C1OC(=O)c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
GAA P10253 3/20 0.52
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
CDH1 P12830 1/20 0.41
APC P25054 1/20 0.41
CTNNB1 P35222 1/20 0.41
TCF7L2 Q9NQB0 1/20 0.41
CNR1 P21554 1/20 0.40
CYP1A2 P05177 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NOTUM Q6P988 2/20 0.39
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
RXRG P48443 2/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL4681014 0.91 NR1H4 (0.46) KDM4EGAALMNAL3MBTL1RAB9A
SCHEMBL10373895 0.80 MEN1 (0.50) KDM4EGAALMNAL3MBTL1RAB9A
SCHEMBL4677882 0.79 TDP1 (0.52) KDM4EGAALMNAL3MBTL1RAB9A
SCHEMBL20831970 0.73 KDM4E (0.59) KDM4EGAALMNAL3MBTL1RAB9A
SCHEMBL115647 0.71 LMNA (0.47) KDM4EGAALMNAL3MBTL1RAB9A
SCHEMBL8016751 0.71 L3MBTL1 (0.91) KDM4EGAALMNAL3MBTL1RAB9A
SCHEMBL23542906 0.71 KDM4E (0.68) KDM4EGAALMNAL3MBTL1ADORA2A
SCHEMBL29446663 0.71 KDM4E (0.68) KDM4EGAALMNAL3MBTL1ADORA2A
SCHEMBL20831969 0.70 ADORA2A (0.52) KDM4EGAALMNAL3MBTL1RAB9A
SCHEMBL7556164 0.69 KDM4E (0.60) KDM4EGAALMNAL3MBTL1RAB9A

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638953-B1 3-SUBSTITUTED 5,6-DIARYL-PYRAZINE-2-CARBOXAMIDE AND -2-SULFONAMIDE DERIVATIVES AS CB1 MODULATORS ASTRAZENECA AB (SE) 2008-08-27 EP disclosed
US-20070099923-A1 Therapeutic agents ASTRAZENECA AB (SE) 2007-05-03 US disclosed
US-20070099923-A1 Therapeutic agents ASTRAZENECA AB (SE) 2007-05-03 US disclosed
US-20070099923-A1 Therapeutic agents ASTRAZENECA AB (SE) 2007-05-03 US disclosed
EP-1701958-B1 PYRROLO-PYRAZINE DERIVATIVES USEFUL AS CB1-MODULATORS ASTRAZENECA AB (SE) 2007-05-02 EP disclosed
EP-1701958-B1 PYRROLO-PYRAZINE DERIVATIVES USEFUL AS CB1-MODULATORS ASTRAZENECA AB (SE) 2007-05-02 EP disclosed
US-20070093484-A1 3-Substituted 5,6-diaryl-pyrazine-2-carboxamide and -2-sulfonamide derivatives as cb1 modulators ASTRAZENECA AB (SE) 2007-04-26 US disclosed
US-20070093505-A1 2,3-Substituted 5,6-diaryl-pyrazine derivatives as cb1 modulators ASTRAZENECA AB (SE) 2007-04-26 US disclosed
EP-1701958-A2 PYRROLO-PYRAZINE DERIVATIVES USEFUL AS CB1-MODULATORS AstraZeneca AB (SE) 2006-09-20 EP disclosed
EP-1638956-A1 2,3-SUBSTITUTED 5,6-DIARYL-PYRAZINE DERIVATIVES AS CB1 MODULATORS AstraZeneca AB (SE) 2006-03-29 EP disclosed
EP-1638953-A1 3-SUBSTITUTED 5,6-DIARYL-PYRAZINE-2-CARBOXAMIDE AND -2-SULFONAMIDE DERIVATIVES AS CB1 MODULATORS AstraZeneca AB (SE) 2006-03-29 EP disclosed
WO-2005051953-A2 PYRROLO-PYRAZINE DERIVATIVES USEFUL AS CB1-MODULATORS ASTRAZENECA AB (SE) 2005-06-09 WO disclosed
WO-2004111034-A1 3-SUBSTITUTED 5,6-DIARYL-PYRAZINE-2-CARBOXAMIDE AND -2-SULFONAMIDE DERIVATIVES AS CB1 MODULATORS ASTRAZENECA AB (SE) 2004-12-23 WO disclosed
WO-2004111039-A1 2,3-SUBSTITUTED 5,6-DIARYL-PYRAZINE DERIVATIVES AS CB1 MODULATORS ASTRAZENECA AB (SE) 2004-12-23 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 (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-20070093505-A1 2,3-Substituted 5,6-diaryl-pyrazine derivatives as cb1 modulators CNR2, CNR1, HTR2C KDM4E 740/4885GAA 4036/4885LMNA 4331/4885
US-20070093484-A1 3-Substituted 5,6-diaryl-pyrazine-2-carboxamide and -2-sulfonamide derivatives as cb1 modulators CNR2, CNR1, FAAH KDM4E 775/4885GAA 3433/4885LMNA 4233/4885
US-20070099923-A1 Therapeutic agents CBR1, CBR3, CNR1 KDM4E 2830/4885GAA 1588/4885LMNA 1994/4885

“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.