SCHEMBL3579457

SCHEMBL3579457

O=C(O)c1cc2[nH]c(=O)c3cnc(-c4ccccc4)n3c2cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 7/20 0.46
PDE5A O76074 4/20 0.41
GRIA1 P42261 3/20 0.41
GRIA2 P42262 3/20 0.41
GRIA3 P42263 3/20 0.41
GRIA4 P48058 3/20 0.41
GRIK1 P39086 1/20 0.41
GRIK2 Q13002 1/20 0.41
GRIK3 Q13003 1/20 0.41
GRIN2D O15399 3/20 0.40
GRIN3B O60391 3/20 0.40
GRIN1 Q05586 3/20 0.40
GRIN2A Q12879 3/20 0.40
GRIN2B Q13224 3/20 0.40
GRIN2C Q14957 3/20 0.40
GRIN3A Q8TCU5 3/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL3591575 0.95 GRIN2D (0.43) PDE9APDE5AGRIA1GRIA2GRIA3
SCHEMBL3492221 0.88 PDE9A (0.61) PDE9APDE5AGRIA1GRIA2GRIA3
SCHEMBL3591501 0.87 MEN1 (0.45) PDE9AKDM4EALDH1A1POLBMAPT
SCHEMBL3599973 0.87 PDE9A (0.53) PDE9APDE5AGRIN2DGRIN3BGRIN1
SCHEMBL3599729 0.86 PDE9A (0.52) PDE9APDE5AGRIN2DGRIN3BGRIN1
SCHEMBL3592994 0.86 PDE9A (0.54) PDE9APDE5AGRIN2BALDH1A1HPGD
SCHEMBL3606050 0.86 PDE9A (0.49) PDE9APDE5AGRIA1GRIA2GRIA3
SCHEMBL3593020 0.85 PDE9A (0.51) PDE9APDE5AGRIA1GRIA2GRIA3
SCHEMBL3601626 0.85 PDE9A (0.53) PDE9APDE5APOLBMAPT
SCHEMBL3599108 0.84 PDE9A (0.51) PDE9APDE5A

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
EP-2103613-B1 QUINOXALINE DERIVATIVE ASKA PHARM CO LTD (JP) 2016-02-17 EP disclosed
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-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 PDE9A 1/4885PDE5A 6/4885GRIA1 2578/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 PDE9A 1/4885PDE5A 8/4885GRIA1 1950/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A PDE9A 1/4885PDE5A 6/4885GRIA1 2578/4885

“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.