SCHEMBL3600484

SCHEMBL3600484

CNC(=O)C=Cc1ccc2[nH]c(=O)c3cnc(C4CCCCC4)n3c2c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 5/20 0.52
PDE5A O76074 1/20 0.45
PDE7A Q13946 1/20 0.43
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
HDAC1 Q13547 9/20 0.40
HDAC8 Q9BY41 4/20 0.40
AURKA O14965 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
KDR P35968 1/20 0.35
FLT3 P36888 1/20 0.35
HDAC3 O15379 3/20 0.33
HDAC2 Q92769 3/20 0.33
HDAC6 Q9UBN7 3/20 0.33
HDAC4 P56524 2/20 0.33
KCNH2 Q12809 2/20 0.33
MAOB P27338 1/20 0.33
PELI1 Q96FA3 1/20 0.32

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
SCHEMBL3600478 1.00 PDE9A (0.52) PDE9APDE5APDE7APARP1PARP2
SCHEMBL11997358 0.89 PDE9A (0.55) PDE9APDE5APDE7AHDAC1HDAC8
SCHEMBL3588966 0.89 PDE9A (0.53) PDE9APDE5AHDAC1HDAC8AURKA
SCHEMBL3588969 0.89 PDE9A (0.53) PDE9APDE5AHDAC1HDAC8AURKA
SCHEMBL3597938 0.87 PDE9A (0.59) PDE9APDE5AHDAC1HDAC8AURKA
SCHEMBL3597932 0.87 PDE9A (0.59) PDE9APDE5AHDAC1HDAC8AURKA
SCHEMBL3595024 0.82 PDE9A (0.56) PDE9APDE5APDE7APARP1AURKA
SCHEMBL16226342 0.81 PDE9A (0.54) PDE9APDE5AAURKAJAK2JAK1
SCHEMBL3587689 0.81 PDE9A (0.53) PDE9APDE5AHDAC1HDAC8AURKA
SCHEMBL3587696 0.81 PDE9A (0.53) PDE9APDE5AHDAC1HDAC8AURKA

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 1/4885PDE5A 6/4885PDE7A 16/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 PDE9A 1/4885PDE5A 8/4885PDE7A 20/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A PDE9A 1/4885PDE5A 6/4885PDE7A 16/4885

“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.