SCHEMBL3494745

SCHEMBL3494745

CN(Cc1ccccn1)C(=O)c1ccc2[nH]c(=O)c3cnc(C4CCCCC4)n3c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 5/20 0.53
PARP1 P09874 1/20 0.46
PLAT P00750 2/20 0.43
PDE5A O76074 1/20 0.43
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
BRPF1 P55201 2/20 0.39
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 2/20 0.39
OPRK1 P41145 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
SYK P43405 1/20 0.36

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
SCHEMBL3599318 0.92 PDE9A (0.52) PDE9APARP1PDE5APDK1PDK2
SCHEMBL3492682 0.87 PDE9A (0.57) PDE9APARP1PDE5ABRPF1KDM4E
SCHEMBL3594115 0.86 PDE9A (0.59) PDE9APDE5APDK2BRPF1KDM4E
SCHEMBL3493800 0.86 PDE9A (0.53) PDE9APLATPDE5APDK1PDK2
SCHEMBL3599497 0.86 PDE9A (0.61) PDE9APLATPDE5ABRPF1KDM4E
SCHEMBL3494610 0.86 PDE9A (0.56) PDE9APDE5AKDM4EHSD17B10OPRK1
SCHEMBL3601812 0.85 PDE9A (0.58) PDE9APARP1PDE5ABRPF1KDM4E
SCHEMBL3599163 0.84 PDE9A (0.69) PDE9APDE5AKDM4EALDH1A1HPGD
SCHEMBL3602909 0.83 RAB9A (0.51) PDE9APDE5AKDM4EALDH1A1HPGD
SCHEMBL3596506 0.83 PDE9A (0.68) PDE9APDE5AKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2103613-B1 QUINOXALINE DERIVATIVE ASKA PHARM CO LTD (JP) 2016-02-17 EP claimed
US-8829000-B2 Substituted imidazo[1,5-A]quinoxalines as phosphodiesterase 9 inhibitors ASKA PHARMACEUTICAL CO., LTD. (JP) 2014-09-09 US claimed
EP-2103613-B1 QUINOXALINE DERIVATIVE ASKA PHARM CO LTD (JP) 2016-02-17 EP disclosed
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
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-8829000-B2 Substituted imidazo[1,5-A]quinoxalines as phosphodiesterase 9 inhibitors ASKA PHARMACEUTICAL CO., LTD. (JP) 2014-09-09 US disclosed
EP-2489667-A1 Quinoxaline derivative ASKA Pharmaceutical Co., Ltd. (JP) 2012-08-22 EP disclosed
EP-2489667-A1 Quinoxaline derivative ASKA Pharmaceutical Co., Ltd. (JP) 2012-08-22 EP disclosed
US-20100113484-A1 TREATING AGENT OF UROPATHY ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-05-06 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
US-20100048556-A1 QUINOXALINE DERIVATIVES ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-02-25 US disclosed
EP-2123301-A1 THERAPEUTIC AGENT FOR URINARY TRACT DISEASE ASKA Pharmaceutical Co., Ltd. (JP) 2009-11-25 EP 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-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 PDE9A 1/4885PARP1 3374/4885PLAT 3790/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A PDE9A 1/4885PARP1 3075/4885PLAT 2869/4885
US-20100113484-A1 TREATING AGENT OF UROPATHY BPHL, PDE12, UROD PDE9A 6/4885PARP1 1232/4885PLAT 366/4885

“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.