SCHEMBL6428774

SCHEMBL6428774

O=c1[nH]c2c3ccccc3[nH]c2n2ccnc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.56
PDE6D O43924 1/20 0.56
PDE8A O60658 1/20 0.56
PDE5A O76074 1/20 0.56
PDE9A O76083 1/20 0.56
PDE8B O95263 1/20 0.56
PDE6A P16499 1/20 0.56
PDE6G P18545 1/20 0.56
PDE4A P27815 1/20 0.56
PDE6B P35913 1/20 0.56
PDE6C P51160 1/20 0.56
PDE1A P54750 1/20 0.56
PDE1B Q01064 1/20 0.56
PDE4B Q07343 1/20 0.56
PDE4C Q08493 1/20 0.56
PDE4D Q08499 1/20 0.56
PDE3B Q13370 1/20 0.56
PDE7A Q13946 1/20 0.56
PDE6H Q13956 1/20 0.56
PDE1C Q14123 1/20 0.56

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
SCHEMBL2818529 0.74 PDE2A (0.69) PDE2APDE6DPDE8APDE5APDE9A
SCHEMBL30273078 0.74 PDE2A (0.69) PDE2APDE6DPDE8APDE5APDE9A
SCHEMBL30273088 0.74 PDE3B (0.51) PDE2APDE6DPDE8APDE5APDE9A
SCHEMBL9414983 0.74 PDE3B (0.51) PDE2APDE6DPDE8APDE5APDE9A
SCHEMBL8506743 0.73 PDE3B (0.48) PDE2APDE6DPDE8APDE5APDE9A
SCHEMBL6081699 0.73 CDK4 (0.51) PARP1MEN1KMT2A
SCHEMBL8797538 0.72 PDE2A (0.47) PDE2APDE6DPDE8APDE5APDE9A
SCHEMBL8796988 0.72 PDE2A (0.47) PDE2APDE6DPDE8APDE5APDE9A
SCHEMBL7269656 0.72 PDE2A (1.00) PDE2APDE6DPDE8APDE5APDE9A
SCHEMBL1388122 0.70 PDE3B (0.45) PDE2APDE6DPDE8APDE5APDE9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050182047-A1 Treatment of demyelinating disorders EISAI CO., LTD. (JP) 2005-08-18 US disclosed
US-20050130979-A1 2,3-dihydroxy-6-nitro-7-sulfamoyl-benzo(F)quinoxaline (NBQX) or the quinoxalinedione is 9-methyl-amino-6-nitro-hexahydro-benzo(F) quinoxalinedione (PNQX) for treating demyelinating disorders EISAI CO., LTD. (JP) 2005-06-16 US disclosed
US-20040204347-A1 Treatment of demyelinating disorders EISAI CO., LTD. (JP) 2004-10-14 US disclosed
EP-1100504-A2 PHARMACEUTICAL COMPOSITIONS AND THEIR USES FOR TREATMENT OF DEMYELINATING DISORDERS Eisai Co., Ltd. (JP) 2001-05-23 EP disclosed
WO-2000001376-A2 PHARMACEUTICAL COMPOSITIONS AND THEIR USES FOR TREATMENT OF DEMYELINATING DISORDERS EISAI CO., LTD (JP) 2000-01-13 WO disclosed
WO-1997025329-A1 5H,10H-IMIDAZO[1,2-a]INDOLO[3,2-e]PYRAZINE-4-ONE DERIVATIVES, PREPARATION THEREOF AND DRUGS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1997-07-17 WO disclosed
EP-0708778-B1 IMIDAZO[1,2-A]PYRAZIN-4-ONE DERIVATIVES FOR USE AS AMPA AND NMDA RECEPTOR ANTAGONISTS RHONE POULENC RORER SA (FR) 1997-02-05 EP disclosed
EP-0708778-A1 IMIDAZO[1,2-A]PYRAZIN-4-ONE DERIVATIVES FOR USE AS AMPA AND NMDA RECEPTOR ANTAGONISTS RHONE POULENC RORER SA (FR) 1996-05-01 EP disclosed
WO-1995002602-A1 IMIDAZO(1,2-A)PYRAZIN-4-ONE DERIVATIVES FOR USE AS AMPA AND NMDA RECEPTOR ANTAGONISTS RHONE-POULENC RORER S.A. (FR) 1995-01-26 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 (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-20040204347-A1 Treatment of demyelinating disorders GRIK4, GRIK5, PMP22 PDE2A 3935/4885PDE6D 4131/4885PDE8A 2879/4885
US-20050130979-A1 2,3-dihydroxy-6-nitro-7-sulfamoyl-benzo(F)quinoxaline (NBQX) or the quinoxalinedione is 9-methyl-amino-6-nitro-hexahydro-benzo(F) quinoxalinedione (PNQX) for treating demyelinating disorders GRIK4, GRIK5, GRIK3 PDE2A 3887/4885PDE6D 3681/4885PDE8A 3974/4885
US-20050182047-A1 Treatment of demyelinating disorders GRIK4, PMP22, GRIK5 PDE2A 4097/4885PDE6D 4235/4885PDE8A 2774/4885

“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.