SCHEMBL4454677

SCHEMBL4454677

COc1ccc(-c2ncc(C(=O)Nc3ccccc3)nc2-c2ccc(OC)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 1.00
SMN1; SMN2 Q16637 3/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
MAPT P10636 1/20 0.60
PKM P14618 1/20 0.60
KDM4E B2RXH2 2/20 0.59
MEN1 O00255 1/20 0.59
GAA P10253 1/20 0.59
KMT2A Q03164 1/20 0.59
PRKDC P78527 1/20 0.57
ATR Q13535 1/20 0.57
LMNA P02545 1/20 0.56
AURKA O14965 2/20 0.54
POLB P06746 1/20 0.53

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
SCHEMBL6424135 0.96 CNR1 (0.93) CNR1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4451106 0.87 CNR1 (1.00) CNR1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL4450848 0.86 CNR1 (1.00) CNR1
SCHEMBL4454675 0.84 CNR1 (1.00) CNR1SMN1; SMN2KDM4EATRLMNA
Hydrochloric Acid SCHEMBL9694111 0.82 CNR1 (0.70) CNR1
SCHEMBL4455131 0.81 CNR1 (0.67) CNR1MAPTKDM4EGAALMNA
SCHEMBL5160102 0.81 CNR1 (0.67) CNR1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL16420764 0.80 SCN10A (0.67) CNR1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL9695575 0.80 CNR1 (0.66) CNR1MAPTPKMKDM4EGAA
SCHEMBL6937747 0.78 RAB9A (0.64) CNR1SMN1; SMN2NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473693-B2 Stable dispersion of solid particles comprising a water-insoluble pyrazine compound ASTRAZENECA AB (SE) 2009-01-06 US claimed
EP-1592451-B1 STABLE DISPERSION OF SOLID PARTICLES COMPRISING A WATER-INSOLUBLE PYRAZINE COMPOUND ASTRAZENECA AB (SE) 2008-07-02 EP claimed
US-7342019-B2 5, 6-diaryl-pyrazine-2-amide derivatives as CB1 antagonists ASTRAZENECA AB (SE) 2008-03-11 US claimed
EP-1458690-B1 5,6-DIARYL-PYRAZINE-2-AMIDE DERIVATIVES AS CB1 ANTAGONISTS ASTRAZENECA AB (SE) 2007-02-21 EP claimed
US-20060134146-A1 Stable dispersion of solid particles comprising a water-insoluble pyrazine compound ASTRAZENECA AB (SE) 2006-06-22 US claimed
EP-1592451-A1 STABLE DISPERSION OF SOLID PARTICLES COMPRISING A WATER-INSOLUBLE PYRAZINE COMPOUND AstraZeneca AB (SE) 2005-11-09 EP claimed
US-20050032808-A1 5 6-diaryl-pyrazine-2-amide derivatives as cb1 antagonists ASTRAZENECA AB (SE) 2005-02-10 US claimed
EP-1458690-A1 5,6-DIARYL-PYRAZINE-2-AMIDE DERIVATIVES AS CB1 ANTAGONISTS Astrazeneca AB (SE) 2004-09-22 EP claimed
WO-2004069277-A1 STABLE DISPERSION OF SOLID PARTICLES COMPRISING A WATER-INSOLUBLE PYRAZINE COMPOUND ASTRAZENECA AB (SE) 2004-08-19 WO claimed
WO-2003051850-A1 PYRAZINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2003-06-26 WO claimed
WO-2003051851-A1 5, 6-DIARYL-PYRAZINE-2-AMIDE DERIVATIVES AS CB1 ANTAGONISTS ASTRAZENECA AB (SE) 2003-06-26 WO claimed
US-7473693-B2 Stable dispersion of solid particles comprising a water-insoluble pyrazine compound ASTRAZENECA AB (SE) 2009-01-06 US disclosed
EP-1592451-B1 STABLE DISPERSION OF SOLID PARTICLES COMPRISING A WATER-INSOLUBLE PYRAZINE COMPOUND ASTRAZENECA AB (SE) 2008-07-02 EP disclosed
US-7342019-B2 5, 6-diaryl-pyrazine-2-amide derivatives as CB1 antagonists ASTRAZENECA AB (SE) 2008-03-11 US disclosed
EP-1458690-B1 5,6-DIARYL-PYRAZINE-2-AMIDE DERIVATIVES AS CB1 ANTAGONISTS ASTRAZENECA AB (SE) 2007-02-21 EP disclosed
US-20050032808-A1 5 6-diaryl-pyrazine-2-amide derivatives as cb1 antagonists ASTRAZENECA AB (SE) 2005-02-10 US disclosed
EP-1458690-A1 5,6-DIARYL-PYRAZINE-2-AMIDE DERIVATIVES AS CB1 ANTAGONISTS Astrazeneca AB (SE) 2004-09-22 EP disclosed
WO-2004069277-A1 STABLE DISPERSION OF SOLID PARTICLES COMPRISING A WATER-INSOLUBLE PYRAZINE COMPOUND ASTRAZENECA AB (SE) 2004-08-19 WO disclosed
WO-2003051850-A1 PYRAZINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2003-06-26 WO disclosed
WO-2003051851-A1 5, 6-DIARYL-PYRAZINE-2-AMIDE DERIVATIVES AS CB1 ANTAGONISTS ASTRAZENECA AB (SE) 2003-06-26 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-20060134146-A1 Stable dispersion of solid particles comprising a water-insoluble pyrazine compound SKP1, SPOP, ABCG2 CNR1 4128/4885SMN1; SMN2 3796/4885NPC1 1728/4885
US-20050032808-A1 5 6-diaryl-pyrazine-2-amide derivatives as cb1 antagonists CNR1, CNR2, GPR18 CNR1 1/4885SMN1; SMN2 4128/4885NPC1 878/4885

“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.