SCHEMBL3583736

SCHEMBL3583736

CCOc1cc2c(cc1C(=O)N(C)C)[nH]c(=O)c1nnc(-c3ccccc3)n12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 3/20 0.54
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
MAPT P10636 2/20 0.50
POLB P06746 1/20 0.50
G6PD P11413 1/20 0.50
PKM P14618 1/20 0.50
ALOX12 P18054 1/20 0.50
HKDC1 Q2TB90 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PDE2A O00408 3/20 0.41
HSD17B10 Q99714 3/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADORA3 P0DMS8 2/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL3598272 0.90 KDM4E (0.53) PDE9AKDM4EALDH1A1HPGDMAPT
SCHEMBL3492434 0.86 PDE9A (0.64) PDE9AKDM4EALDH1A1HPGDPOLB
SCHEMBL1721719 0.78 KDM4E (0.61) PDE9AKDM4EALDH1A1HPGDMAPT
SCHEMBL3583732 0.78 PDE9A (0.76) PDE9AKDM4EALDH1A1HPGDPOLB
SCHEMBL7907652 0.77 KDM4E (0.62) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL3491849 0.76 PDE9A (0.62) PDE9AKDM4EALDH1A1HPGDMAPT
SCHEMBL3588510 0.76 PDE9A (0.51) PDE9AKDM4EALDH1A1POLBPDE2A
SCHEMBL1721959 0.75 KDM4E (0.57) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL3599348 0.75 KDM4E (0.47) PDE9AKDM4EALDH1A1HPGDMAPT
SCHEMBL3602252 0.75 PDE2A (0.65) KDM4EALDH1A1HPGDMAPTPOLB

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 9 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-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 1/4885KDM4E 1972/4885ALDH1A1 858/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 PDE9A 1/4885KDM4E 1990/4885ALDH1A1 1387/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A PDE9A 1/4885KDM4E 1972/4885ALDH1A1 858/4885

“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.