SCHEMBL3591869

SCHEMBL3591869

COC(=O)c1cc2[nH]c(=O)c3c(C)nc(-c4ccccc4)n3c2cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.41
PDE5A O76074 2/20 0.41
PDE4A P27815 2/20 0.41
PDE10A Q9Y233 2/20 0.41
PDE9A O76083 2/20 0.41
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
PDE6D O43924 1/20 0.41
PDE8A O60658 1/20 0.41
PDE8B O95263 1/20 0.41
PDE6A P16499 1/20 0.41
PDE6G P18545 1/20 0.41
PDE6B P35913 1/20 0.41
PDE6C P51160 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE7A Q13946 1/20 0.41

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
SCHEMBL3598766 0.92 KDM4E (0.42) PDE2APDE5APDE4APDE10APDE9A
SCHEMBL3598874 0.88 PDE9A (0.50) PDE2APDE5APDE4APDE10APDE9A
SCHEMBL3595669 0.83 PDE9A (0.48) PDE9AFGFR1SRCERCC1FEN1
SCHEMBL3591867 0.78 PDE9A (0.56) PDE5APDE10APDE9APDE1APDE1B
SCHEMBL3591362 0.76 PDE2A (0.46) PDE2APDE5APDE4APDE10APDE9A
SCHEMBL3595824 0.75 PDE2A (0.53) PDE2APDE5APDE4APDE10APDE9A
SCHEMBL3595181 0.74 PDE9A (0.49) PDE5APDE9AALDH1A1KDM4EHPGD
SCHEMBL3605996 0.73 PDE9A (0.48) PDE5APDE9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL972909 0.73 ADORA3 (0.53) PDE2APDE5APDE4APDE10APDE9A
SCHEMBL3598272 0.71 KDM4E (0.53) PDE2APDE9AALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040536-B2 Substituted pyrrolo[1,2-a]quinoxalines as PDE9 inhibitors ASKA PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
EP-2489667-B1 Quinoxaline derivative ASKA PHARM CO LTD (JP) 2015-04-15 EP disclosed
EP-2848620-A1 Quinoxaline derivatives ASKA Pharmaceutical Co., Ltd. (JP) 2015-03-18 EP disclosed
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR ASKA PHARM CO LTD (JP) 2014-11-13 US disclosed
US-8829000-B2 Substituted imidazo[1,5-A]quinoxalines as phosphodiesterase 9 inhibitors ASKA PHARMACEUTICAL CO., LTD. (JP) 2014-09-09 US disclosed
US-20130225572-A1 Substituted Imidazo[1,5-A]Quinoxalines As a PDE9 Inhibitor OKADA MAKOTO (JP) 2013-08-29 US disclosed
US-8299080-B2 Substituted imidazo[1,5-A] quinoxalines as a PDE9 inhibitor ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-10-30 US disclosed
EP-2489667-A1 Quinoxaline derivative ASKA Pharmaceutical Co., Ltd. (JP) 2012-08-22 EP disclosed
US-20100048556-A1 QUINOXALINE DERIVATIVES ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-02-25 US disclosed
EP-2103613-A1 QUINOXALINE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2009-09-23 EP 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-20130225572-A1 Substituted Imidazo[1,5-A]Quinoxalines As a PDE9 Inhibitor PDE9A, ADCY9, PDE3A PDE2A 5/4885PDE5A 6/4885PDE4A 25/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 PDE2A 4/4885PDE5A 8/4885PDE4A 36/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A PDE2A 5/4885PDE5A 6/4885PDE4A 25/4885

“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.