SCHEMBL12502680

SCHEMBL12502680

Cc1nc2ccc(Br)cc2n2c(-c3ccccc3Cl)nnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 19/20 1.00
▸ PDE10A Q9Y233 13/20 1.00
▸ PDE4D Q08499 1/20 0.65
▸ PDE11A Q9HCR9 1/20 0.65
▸ ESR2 Q92731 1/20 0.65

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
SCHEMBL14361830 0.91 PDE2A (0.83) PDE2APDE10APDE4DPDE11AESR2
SCHEMBL14359712 0.90 PDE2A (0.82) PDE2APDE10APDE4DPDE11A
SCHEMBL14765006 0.88 PDE2A (0.81) PDE2APDE10APDE4DPDE11AESR2
SCHEMBL12502536 0.88 PDE2A (1.00) PDE2APDE10APDE4DPDE11AESR2
SCHEMBL14362095 0.87 PDE2A (0.84) PDE2APDE10A
SCHEMBL12503036 0.85 PDE2A (1.00) PDE2APDE10APDE4DPDE11A
SCHEMBL14362126 0.85 PDE2A (0.78) PDE2APDE10APDE4DPDE11AESR2
SCHEMBL14361813 0.85 PDE2A (0.82) PDE2APDE10APDE4DPDE11AESR2
SCHEMBL12502893 0.84 PDE2A (1.00) PDE2APDE10APDE4DPDE11A
SCHEMBL14362076 0.83 PDE2A (0.74) PDE2APDE10APDE4DPDE11AESR2

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 31 patents — showing the first 20. 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
US-20140147386-A1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2014-05-29 — — US claimed
EP-2723744-A1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES Janssen Pharmaceutica, N.V. (BE) 2014-04-30 — — 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
WO-2013000924-A1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2013-01-03 — — WO claimed
EP-2863909-B1 COMBINATIONS COMPRISING 4-METHYL-[1,2,4]TRIAZOLO[4,3-A]QUINOXALINE COMPOUNDS AS PDE 2 INHIBITORS AND PDE 10 INHIBITORS FOR USE IN THE TREATMENT OF NEUROLOGICAL OR METABOLIC DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2020-11-04 — — EP disclosed
EP-2863909-B1 COMBINATIONS COMPRISING 4-METHYL-[1,2,4]TRIAZOLO[4,3-A]QUINOXALINE COMPOUNDS AS PDE 2 INHIBITORS AND PDE 10 INHIBITORS FOR USE IN THE TREATMENT OF NEUROLOGICAL OR METABOLIC DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2020-11-04 — — EP disclosed
US-10604523-B2 1-aryl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline derivatives JANSSEN PHARMACEUTICA NV (BE) 2020-03-31 — — US disclosed
US-9669035-B2 Combinations comprising PDE 2 inhibitors such as 1-aryl-4-methyl-[1,2,4]triazolo-[4,3-A]]quinoxaline compounds and PDE 10 inhibitors for use in the treatment of neurological of metabolic disorders JANSSEN PHARMACEUTICA NV (BE) 2017-06-06 — — US disclosed
US-9669035-B2 Combinations comprising PDE 2 inhibitors such as 1-aryl-4-methyl-[1,2,4]triazolo-[4,3-A]]quinoxaline compounds and PDE 10 inhibitors for use in the treatment of neurological of metabolic disorders JANSSEN PHARMACEUTICA NV (BE) 2017-06-06 — — US disclosed
US-9669035-B2 Combinations comprising PDE 2 inhibitors such as 1-aryl-4-methyl-[1,2,4]triazolo-[4,3-A]]quinoxaline compounds and PDE 10 inhibitors for use in the treatment of neurological of metabolic disorders JANSSEN PHARMACEUTICA NV (BE) 2017-06-06 — — US 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
EP-2723744-A1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES Janssen Pharmaceutica, N.V. (BE) 2014-04-30 — — EP 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
WO-2013000924-A1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2013-01-03 — — WO disclosed
WO-2013000924-A1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2013-01-03 — — 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
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 (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-20120302564-A1 (1,2,4)TRIAZOLO[4,3-A]QUINOXALINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES PDE3A, PDE4A, PDE2A PDE2A 3/4885PDE10A 22/4885PDE4D 9/4885
US-20140147386-A1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES PDE2A, PDE12, PDE5A PDE2A 1/4885PDE10A 10/4885PDE4D 12/4885
US-10604523-B2 1-aryl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline derivatives PDE2A, PDE12, PDE5A PDE2A 1/4885PDE10A 10/4885PDE4D 12/4885

“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.

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