SCHEMBL14054620

SCHEMBL14054620

Cc1cnccc1-c1nnc2c(C)nc3ccccc3n12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 19/20 1.00
▸ PDE10A Q9Y233 17/20 1.00
▸ PDE4D Q08499 1/20 0.62
▸ PDE11A Q9HCR9 1/20 0.62
▸ PDE6D O43924 1/20 0.50
▸ PDE6A P16499 1/20 0.50
▸ PDE6G P18545 1/20 0.50
▸ PDE6B P35913 1/20 0.50
▸ PDE6C P51160 1/20 0.50
▸ PDE6H Q13956 1/20 0.50

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
SCHEMBL14765159 0.87 PDE2A (0.77) PDE2APDE10APDE4DPDE11A
SCHEMBL12502561 0.83 PDE2A (1.00) PDE2APDE10APDE4DPDE11A
SCHEMBL14359617 0.78 PDE2A (0.73) PDE2APDE10APDE4DPDE11A
SCHEMBL14765020 0.78 PDE2A (0.65) PDE2APDE10APDE4DPDE11APDE6D
SCHEMBL14764423 0.77 PDE2A (1.00) PDE2APDE10APDE4DPDE11A
SCHEMBL14764452 0.77 PDE2A (0.82) PDE2APDE10APDE4DPDE11A
SCHEMBL12502454 0.77 PDE2A (0.71) PDE2APDE10APDE4DPDE11A
SCHEMBL12502893 0.77 PDE2A (1.00) PDE2APDE10APDE4DPDE11A
SCHEMBL12502142 0.77 PDE2A (1.00) PDE2APDE10A
SCHEMBL14764776 0.76 TYMS (0.70) 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 7 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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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

“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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