SCHEMBL3594831

SCHEMBL3594831

CCN(CC)C(=O)c1ccc2c(c1)[nH]c(=O)c1cnc(-c3ccccc3)n12

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 5/20 0.53
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 8/20 0.45
ALDH1A1 P00352 5/20 0.45
MAPT P10636 1/20 0.44
BRPF1 P55201 2/20 0.44
PDE5A O76074 3/20 0.41
LMNA P02545 1/20 0.40
ITK Q08881 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CNR2 P34972 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 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
SCHEMBL3602302 0.92 HPGD (0.45) PDE9AMEN1KMT2AHPGDALDH1A1
SCHEMBL3584324 0.91 PDE9A (0.54) PDE9AMEN1KMT2AHPGDALDH1A1
SCHEMBL3592929 0.89 PDE9A (0.67) PDE9AMEN1KMT2AHPGDALDH1A1
SCHEMBL3595075 0.87 PDE9A (0.52) PDE9AMEN1KMT2AHPGDALDH1A1
SCHEMBL3583650 0.85 PDE9A (0.52) PDE9AMEN1KMT2AHPGDALDH1A1
SCHEMBL3590864 0.85 PDE9A (0.49) PDE9AKMT2AHPGDALDH1A1MAPT
SCHEMBL3596617 0.84 PDE2A (0.49) PDE9AMEN1KMT2AALDH1A1MAPT
SCHEMBL3593682 0.83 MLYCD (0.41) PDE9AMEN1KMT2AHPGDALDH1A1
SCHEMBL3606050 0.83 PDE9A (0.49) PDE9AKMT2AHPGDALDH1A1PDE5A
SCHEMBL3599500 0.83 PDE9A (0.45) PDE9AMEN1KMT2AHPGDALDH1A1

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 PDE9A 1/4885MEN1 4005/4885KMT2A 1460/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 PDE9A 1/4885MEN1 4034/4885KMT2A 1913/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A PDE9A 1/4885MEN1 4005/4885KMT2A 1460/4885

“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.