SCHEMBL14361892

SCHEMBL14361892

COc1ccc(Cl)c(-c2nnc3c(C)nc4ccc(CN5CCOCC5)cc4n23)c1

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 6/20 0.81
▸ PDE6D O43924 1/20 0.76
▸ PDE6A P16499 1/20 0.76
▸ PDE6G P18545 1/20 0.76
▸ PDE6B P35913 1/20 0.76
▸ PDE6C P51160 1/20 0.76
▸ PDE1B Q01064 1/20 0.76
▸ PDE7A Q13946 1/20 0.76
▸ PDE6H Q13956 1/20 0.76
▸ PDE3A Q14432 1/20 0.76
▸ PDE11A Q9HCR9 1/20 0.59

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
SCHEMBL14362242 0.91 PDE2A (1.00) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL14362028 0.91 PDE2A (1.00) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL14361943 0.90 PDE2A (0.82) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL14361752 0.90 PDE2A (1.00) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL14362149 0.90 PDE2A (1.00) PDE2APDE10APDE6DPDE6APDE6G
Hydrochloric Acid SCHEMBL14362002 0.89 PDE2A (0.98) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL14362264 0.86 PDE2A (1.00) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL14362258 0.82 PDE2A (0.86) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL14362071 0.82 PDE2A (0.83) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL14362062 0.82 PDE2A (0.86) PDE2APDE10A

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-2723744-B1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-03-23 — — 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-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
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
EP-2723744-B1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-03-23 — — EP disclosed
US-20150366873-A1 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) 2015-12-24 — — US disclosed
EP-2863909-A1 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 OR METABOLIC DISORDERS Janssen Pharmaceutica N.V. (BE) 2015-04-29 — — EP 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-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
WO-2014001314-A1 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 OR METABOLIC DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2014-01-03 — — 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

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-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
US-10604523-B2 1-aryl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline derivatives PDE2A, PDE12, PDE5A PDE2A 1/4885PDE10A 10/4885PDE6D 24/4885
US-20150366873-A1 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 PDE12, PDE5A, PDE2A PDE2A 3/4885PDE10A 4/4885PDE6D 47/4885

“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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