SCHEMBL3592763

SCHEMBL3592763

O=c1[nH]c2cc(-n3cccn3)ccc2n2c(-c3ccccc3)ncc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.39
ERCC4 Q92889 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
G6PD P11413 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
METAP2 P50579 1/20 0.38
PDE9A O76083 6/20 0.38
PDE5A O76074 4/20 0.38
EGLN1 Q9GZT9 3/20 0.36
PDE2A O00408 2/20 0.36
KDM5B Q9UGL1 1/20 0.35
MAPK8 P45983 1/20 0.35
DYRK1A Q13627 1/20 0.35

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
SCHEMBL3585673 0.80 ALDH1A1 (0.43) KDM4EALDH1A1POLBMAPTG6PD
SCHEMBL3591600 0.78 PDE9A (0.58) KDM4EALDH1A1POLBMAPTG6PD
SCHEMBL3592760 0.77 PDE9A (0.48) PDE9APDE5AKDRMTORPDE1A
SCHEMBL3590864 0.76 PDE9A (0.49) KDM4EALDH1A1POLBMAPTG6PD
SCHEMBL3597567 0.75 FASN (0.46) KDM4EALDH1A1POLBMAPTG6PD
SCHEMBL3587693 0.72 PDE9A (0.45) KDM4EALDH1A1POLBMAPTG6PD
SCHEMBL3596708 0.72 PDE9A (0.41) KDM4EALDH1A1POLBMAPTG6PD
SCHEMBL3592929 0.72 PDE9A (0.67) KDM4EALDH1A1POLBMAPTG6PD
SCHEMBL3596617 0.70 PDE2A (0.49) KDM4EALDH1A1POLBMAPTPDE9A
SCHEMBL3596366 0.70 PARP1 (0.57) ALDH1A1POLBHPGDPDE9A

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 ERCC1 4429/4885ERCC4 4775/4885KDM4E 1972/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 ERCC1 4545/4885ERCC4 4747/4885KDM4E 1990/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A ERCC1 4429/4885ERCC4 4775/4885KDM4E 1972/4885

“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.