SCHEMBL3599729

SCHEMBL3599729

CN(C(=O)c1cc2[nH]c(=O)c3cnc(-c4ccccc4)n3c2cc1Cl)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 6/20 0.52
LMNA P02545 1/20 0.44
POLB P06746 2/20 0.41
GPBAR1 Q8TDU6 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGS2 P35354 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDE5A O76074 2/20 0.37
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
CNR1 P21554 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
SCHEMBL3492221 0.91 PDE9A (0.61) PDE9APOLBSMN1; SMN2KMT2AMEN1
SCHEMBL3593020 0.88 PDE9A (0.51) PDE9APDE5AGRIN2DGRIN3BGRIN1
SCHEMBL3597888 0.87 PDE9A (0.56) PDE9APOLBSMN1; SMN2KMT2AMEN1
SCHEMBL3606050 0.86 PDE9A (0.49) PDE9AKMT2APDE5AGRIN2DGRIN3B
SCHEMBL3598958 0.86 PDE9A (0.49) PDE9APDE5AGRIN2DGRIN3BGRIN1
SCHEMBL3585496 0.86 PDE9A (0.49) PDE9APDE5AGRIN2DGRIN3BGRIN1
SCHEMBL3579457 0.86 PDE9A (0.46) PDE9APOLBPDE5AGRIN2DGRIN3B
SCHEMBL3581801 0.84 PDE9A (0.48) PDE9APOLBPDE5A
SCHEMBL3602445 0.84 PDE9A (0.47) PDE9ALMNASMN1; SMN2L3MBTL1PDE5A
SCHEMBL3581578 0.82 PDE9A (0.46) PDE9AKMT2AMEN1NPC1RAB9A

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
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

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 1/4885LMNA 2607/4885POLB 2322/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 PDE9A 1/4885LMNA 3334/4885POLB 2232/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A PDE9A 1/4885LMNA 2607/4885POLB 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.