SCHEMBL3592941

SCHEMBL3592941

CC(=O)c1ccc2[nH]c(=O)c3cnc(N4C=CC=CC=C4)n3c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 8/20 0.40
PDE5A O76074 4/20 0.35
SLC2A1 P11166 1/20 0.34
B3GNT2 Q9NY97 9/20 0.34
PDE2A O00408 1/20 0.33
PDE6D O43924 1/20 0.33
PDE8A O60658 1/20 0.33
PDE8B O95263 1/20 0.33
PDE6A P16499 1/20 0.33
PDE6G P18545 1/20 0.33
PDE4A P27815 1/20 0.33
PDE6B P35913 1/20 0.33
PDE6C P51160 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE7A Q13946 1/20 0.33

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
SCHEMBL3591733 0.88 PDE9A (0.55) PDE9APDE5AB3GNT2PDE2APDE6D
SCHEMBL3597364 0.83 PDE9A (0.40) PDE9APDE5ASLC2A1PDE2APDE6D
SCHEMBL11997343 0.82 PDE9A (0.39) PDE9APDE5ASLC2A1
SCHEMBL3588040 0.82 PDE9A (0.39) PDE9APDE5ASLC2A1
SCHEMBL3604582 0.80 PDE9A (0.41) PDE9A
SCHEMBL3595991 0.80 B3GNT2 (0.39) PDE9AB3GNT2
SCHEMBL3596976 0.79 PDE9A (0.35) PDE9APDE5APDE2APDE6DPDE8A
SCHEMBL3599063 0.78 PDE5A (0.47) PDE9APDE5AB3GNT2KIF11
SCHEMBL3606268 0.74 PDE9A (0.59) PDE9APDE5A
SCHEMBL3602145 0.73 PDE9A (0.48) PDE9APDE5APDE1B

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
US-9040536-B2 Substituted pyrrolo[1,2-a]quinoxalines as PDE9 inhibitors ASKA PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US 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-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 (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-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 PDE9A 1/4885PDE5A 8/4885SLC2A1 2429/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A PDE9A 1/4885PDE5A 6/4885SLC2A1 3016/4885

“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.