SCHEMBL12502553

SCHEMBL12502553

COc1ccc2c(c1)nc(C)c1nnc(-c3ccccc3Cl)n12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 20/20 1.00
PDE10A Q9Y233 18/20 1.00
PDE6D O43924 1/20 0.60
PDE6A P16499 1/20 0.60
PDE6G P18545 1/20 0.60
PDE4A P27815 1/20 0.60
PDE6B P35913 1/20 0.60
PDE6C P51160 1/20 0.60
PDE4B Q07343 1/20 0.60
PDE4C Q08493 1/20 0.60
PDE4D Q08499 1/20 0.60
PDE6H Q13956 1/20 0.60

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
SCHEMBL14361873 0.91 PDE2A (0.83) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL3322584 0.91 PDE2A (0.83) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL14361839 0.88 PDE2A (0.78) PDE2APDE10A
SCHEMBL12502817 0.86 PDE2A (1.00) PDE2APDE10A
SCHEMBL12502100 0.86 PDE2A (1.00) PDE2APDE10A
SCHEMBL14764901 0.85 PDE2A (0.78) PDE2APDE10APDE4D
SCHEMBL14764974 0.85 PDE2A (0.81) PDE2APDE10APDE4D
SCHEMBL12502622 0.85 PDE2A (1.00) PDE2APDE10A
SCHEMBL971396 0.83 PDE2A (0.71) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL14359712 0.83 PDE2A (0.82) PDE2APDE10APDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2670754-B1 (1,2,4)TRIAZOLO[4,3-A]QUINOXALINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES BOEHRINGER INGELHEIM INT (DE) 2017-05-24 EP claimed
WO-2013034755-A1 TRIAZOLOPYRAZINE DERIVATIVES AND THEIR USE FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS H. LUNDBECK A/S (DK) 2013-03-14 WO claimed
EP-2670754-B1 (1,2,4)TRIAZOLO[4,3-A]QUINOXALINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES BOEHRINGER INGELHEIM INT (DE) 2017-05-24 EP disclosed
EP-2670754-B1 (1,2,4)TRIAZOLO[4,3-A]QUINOXALINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES BOEHRINGER INGELHEIM INT (DE) 2017-05-24 EP disclosed
US-9540379-B2 (1,2,4)triazolo[4,3-A]quinoxaline derivatives as inhibitors of phosphodiesterases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-01-10 US disclosed
US-9540379-B2 (1,2,4)triazolo[4,3-A]quinoxaline derivatives as inhibitors of phosphodiesterases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-01-10 US disclosed
US-9540379-B2 (1,2,4)triazolo[4,3-A]quinoxaline derivatives as inhibitors of phosphodiesterases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-01-10 US disclosed
US-20140147386-A1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2014-05-29 US disclosed
EP-2670754-A1 (1,2,4)TRIAZOLO[4,3-A]QUINOXALINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES Boehringer Ingelheim International GmbH (DE) 2013-12-11 EP disclosed
WO-2013034755-A1 TRIAZOLOPYRAZINE DERIVATIVES AND THEIR USE FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS H. LUNDBECK A/S (DK) 2013-03-14 WO disclosed
WO-2013034755-A1 TRIAZOLOPYRAZINE DERIVATIVES AND THEIR USE FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS H. LUNDBECK A/S (DK) 2013-03-14 WO disclosed
US-20120302564-A1 (1,2,4)TRIAZOLO[4,3-A]QUINOXALINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES BIOCREA GMBH (DE) 2012-11-29 US disclosed
US-20120302564-A1 (1,2,4)TRIAZOLO[4,3-A]QUINOXALINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES BIOCREA GMBH (DE) 2012-11-29 US disclosed
US-20120302564-A1 (1,2,4)TRIAZOLO[4,3-A]QUINOXALINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES BIOCREA GMBH (DE) 2012-11-29 US disclosed
WO-2012104293-A1 (1,2,4)TRIAZOLO[4,3-A]QUINOXALINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-09 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-20120302564-A1 (1,2,4)TRIAZOLO[4,3-A]QUINOXALINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES PDE3A, PDE4A, PDE2A PDE2A 3/4885PDE10A 22/4885PDE6D 31/4885
US-20140147386-A1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES PDE2A, PDE12, PDE5A PDE2A 1/4885PDE10A 10/4885PDE6D 24/4885

“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.