SCHEMBL3586904

SCHEMBL3586904

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.68
ALDH1A1 P00352 1/20 0.68
POLB P06746 1/20 0.68
MAPT P10636 1/20 0.68
G6PD P11413 1/20 0.68
PKM P14618 1/20 0.68
HPGD P15428 1/20 0.68
ALOX12 P18054 1/20 0.68
HKDC1 Q2TB90 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
PDE2A O00408 4/20 0.45
ADORA3 P0DMS8 3/20 0.45
MAOA P21397 1/20 0.44
AURKA O14965 1/20 0.44
PARP1 P09874 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GRIK1 P39086 2/20 0.41
GRIK2 Q13002 1/20 0.41
GRIK3 Q13003 1/20 0.41

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
SCHEMBL1721656 0.88 ALDH1A1 (0.61) KDM4EALDH1A1POLBMAPTG6PD
SCHEMBL1721719 0.88 KDM4E (0.61) KDM4EALDH1A1POLBMAPTG6PD
SCHEMBL3602252 0.86 PDE2A (0.65) KDM4EALDH1A1POLBMAPTG6PD
SCHEMBL1721959 0.84 KDM4E (0.57) KDM4EALDH1A1POLBMAPTG6PD
SCHEMBL7907652 0.83 KDM4E (0.62) KDM4EALDH1A1POLBMAPTG6PD
SCHEMBL1722474 0.83 POLB (0.56) KDM4EALDH1A1POLBMAPTG6PD
SCHEMBL1722019 0.81 KDM4E (0.54) KDM4EALDH1A1POLBMAPTG6PD
SCHEMBL3592635 0.81 AURKA (0.44) KDM4EALDH1A1POLBMAPTG6PD
SCHEMBL1723378 0.80 KDM4E (0.52) KDM4EALDH1A1POLBMAPTG6PD
SCHEMBL1721747 0.79 KDM4E (0.50) 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 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 KDM4E 1972/4885ALDH1A1 858/4885POLB 2322/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 KDM4E 1990/4885ALDH1A1 1387/4885POLB 2232/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A KDM4E 1972/4885ALDH1A1 858/4885POLB 2322/4885

“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.