SCHEMBL1721747

SCHEMBL1721747

O=C(c1ccc2[nH]c(=O)c3nnc(-c4ccccc4)n3c2c1)N1CCC(CCO)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
G6PD P11413 1/20 0.50
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.50
ALOX12 P18054 1/20 0.50
HKDC1 Q2TB90 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
AKR1C3 P42330 4/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR2B P41595 2/20 0.42
HSD11B1 P28845 2/20 0.39
ADORA2A P29274 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MGLL Q99685 1/20 0.38
AURKB Q96GD4 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
SCHEMBL3596409 0.86 AKR1C3 (0.45) AKR1C3MEN1KMT2AHTR2BHSD11B1
SCHEMBL1722474 0.83 POLB (0.56) KDM4EALDH1A1POLBMAPTG6PD
SCHEMBL1721743 0.82 PDE5A (0.41) ALDH1A1MAPTAKR1C3MEN1KMT2A
SCHEMBL3586904 0.79 KDM4E (0.68) KDM4EALDH1A1POLBMAPTG6PD
SCHEMBL3602252 0.75 PDE2A (0.65) KDM4EALDH1A1POLBMAPTG6PD
SCHEMBL3598925 0.74 PDE9A (0.55) AKR1C3MEN1KMT2AAURKB
SCHEMBL1721719 0.74 KDM4E (0.61) KDM4EALDH1A1POLBMAPTG6PD
SCHEMBL1721656 0.74 ALDH1A1 (0.61) KDM4EALDH1A1POLBMAPTG6PD
SCHEMBL3596406 0.74 PDE9A (0.57) AKR1C3MEN1KMT2AHTR2BAURKB
SCHEMBL1721959 0.73 KDM4E (0.57) KDM4EALDH1A1POLBMAPTG6PD

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319385-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-12-29 US claimed
EP-2404922-B1 QUINOXALINE COMPOUNDS ASTELLAS PHARMA INC (JP) 2016-11-09 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-8674096-B2 Substituted imidazo[1,5-a]quinoxalin-4-ones as phosphodiesterase 9 inhibitors ASTELLAS PHARMA INC. (JP) 2014-03-18 US disclosed
US-20130225572-A1 Substituted Imidazo[1,5-A]Quinoxalines As a PDE9 Inhibitor OKADA MAKOTO (JP) 2013-08-29 US disclosed
US-20130085134-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-04 US disclosed
US-8357688-B2 Substituted imidazo[1,5-a]quinoxalin-4(5H)-ones as PDE9 inhibitors ASTELLAS PHARMA INC. (JP) 2013-01-22 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
EP-2404922-A1 QUINOXALINE COMPOUNDS Astellas Pharma Inc. (JP) 2012-01-11 EP disclosed
US-20110319385-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-12-29 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 KDM4E 1972/4885ALDH1A1 858/4885POLB 2322/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 KDM4E 1990/4885ALDH1A1 1387/4885POLB 2232/4885
US-20130085134-A1 QUINOXALINE COMPOUND PDE9A, PDE2A, PDE3A KDM4E 1337/4885ALDH1A1 387/4885POLB 1816/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A KDM4E 1972/4885ALDH1A1 858/4885POLB 2322/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A KDM4E 641/4885ALDH1A1 1344/4885POLB 3320/4885

“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.