SCHEMBL3592998

SCHEMBL3592998

CC(C)(O)c1ccc2[nH]c(=O)c3cnc(-c4ccccc4)n3c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 13/20 0.45
TNKS2 Q9H2K2 13/20 0.45
PARP1 P09874 12/20 0.45
RIOK2 Q9BVS4 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
G6PD P11413 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDE5A O76074 2/20 0.39
PDE9A O76083 2/20 0.39
ADORA3 P0DMS8 2/20 0.38
SLC6A3 Q01959 1/20 0.37
PARP6 Q2NL67 1/20 0.37
PARP10 Q53GL7 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
SCHEMBL3606270 0.81 ADORA3 (0.41) RIOK2KDM4EALDH1A1POLBMAPT
SCHEMBL3592635 0.80 AURKA (0.44) PARP1RIOK2KDM4EALDH1A1POLB
SCHEMBL3596452 0.78 NPBWR1 (0.43) RIOK2KDM4EALDH1A1POLBMAPT
SCHEMBL3599166 0.78 PDE9A (0.55) RIOK2KDM4EALDH1A1POLBMAPT
SCHEMBL3595025 0.78 AURKA (0.47) RIOK2KDM4EALDH1A1POLBMAPT
SCHEMBL3597883 0.76 TUBB4A (0.51) KDM4EALDH1A1POLBMAPTHPGD
SCHEMBL16226340 0.76 AKR1C3 (0.38) RIOK2KDM4EALDH1A1POLBMAPT
SCHEMBL3491348 0.76 PDE9A (0.44) RIOK2KDM4EALDH1A1POLBMAPT
SCHEMBL3591793 0.76 PDE9A (0.52) KDM4EALDH1A1POLBMAPTG6PD
SCHEMBL3588967 0.76 PADI4 (0.40) RIOK2KDM4EALDH1A1POLBMAPT

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 TNKS 3017/4885TNKS2 3414/4885PARP1 3075/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 TNKS 3599/4885TNKS2 3405/4885PARP1 3374/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A TNKS 3017/4885TNKS2 3414/4885PARP1 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.