SCHEMBL3588237

SCHEMBL3588237

CCCCOCc1ccc2c(c1)[nH]c(=O)c1ccc(CC(C)C(=O)O)n12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 4/20 0.41
FFAR1 O14842 2/20 0.34
PARP1 P09874 1/20 0.33
KDR P35968 1/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
SERPINE1 P05121 1/20 0.32
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PDE5A O76074 2/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
GRIK1 P39086 1/20 0.30
GRIA1 P42261 1/20 0.30
GRIA2 P42262 1/20 0.30
GRIA3 P42263 1/20 0.30
GRIA4 P48058 1/20 0.30
GRIK2 Q13002 1/20 0.30
GRIK3 Q13003 1/20 0.30

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
SCHEMBL3602691 0.94 PDE9A (0.42) PDE9AFFAR1PARP1KDM4EALDH1A1
SCHEMBL3591562 0.90 PDE9A (0.43) PDE9AFFAR1PARP1KDM4EALDH1A1
SCHEMBL3592747 0.84 PDE9A (0.51) PDE9AFFAR1KDRSERPINE1PDE5A
SCHEMBL3596910 0.74 PDE9A (0.56) PDE9AALDH1A1SERPINE1MAPTSMN1; SMN2
SCHEMBL3602895 0.74 PDE9A (0.48) PDE9AFFAR1SERPINE1PDE5AGRIA1
SCHEMBL3593625 0.74 PDE9A (0.54) PDE9AFFAR1KDM4EALDH1A1PDE5A
SCHEMBL18098752 0.73 PDE9A (0.38) PDE9APARP1KDRPDE5A
SCHEMBL3588255 0.71 PDE9A (0.56) PDE9AALDH1A1SERPINE1PDE5AHSD17B10
SCHEMBL3593097 0.69 PDE9A (0.53) PDE9AFFAR1PARP1KDM4EALDH1A1
SCHEMBL3589459 0.68 PDE9A (0.50) PDE9AFFAR1PDE5AGRIA1GRIA2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2848620-B1 QUINOXALINE DERIVATIVES ASKA PHARM CO LTD (JP) 2016-09-28 EP disclosed
EP-2848620-B1 QUINOXALINE DERIVATIVES ASKA PHARM CO LTD (JP) 2016-09-28 EP disclosed
US-9040536-B2 Substituted pyrrolo[1,2-a]quinoxalines as PDE9 inhibitors ASKA PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
US-9040536-B2 Substituted pyrrolo[1,2-a]quinoxalines as PDE9 inhibitors ASKA PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US 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
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-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
US-8299080-B2 Substituted imidazo[1,5-A] quinoxalines as a PDE9 inhibitor ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-10-30 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
US-20100048556-A1 QUINOXALINE DERIVATIVES ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-02-25 US 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
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 1/4885FFAR1 811/4885PARP1 3075/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 PDE9A 1/4885FFAR1 934/4885PARP1 3374/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A PDE9A 1/4885FFAR1 811/4885PARP1 3075/4885

“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.