SCHEMBL3597936

SCHEMBL3597936

CN(C)C(=O)/C=C/c1ccc2[nH]c(=O)c3cnc(-c4ccccc4)n3c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.43
IP6K2 Q9UHH9 1/20 0.43
PADI4 Q9UM07 9/20 0.39
APP P05067 1/20 0.39
PDE9A O76083 1/20 0.38
RIOK2 Q9BVS4 1/20 0.37
MAPK10 P53779 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
JAK3 P52333 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
G6PD P11413 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NR4A2 P43354 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
SCHEMBL3588967 0.89 PADI4 (0.40) IP6K1IP6K2PADI4PDE9ARIOK2
SCHEMBL3600481 0.86 IP6K1 (0.43) IP6K1IP6K2PADI4RIOK2MAPK10
SCHEMBL16226340 0.81 AKR1C3 (0.38) PADI4PDE9ARIOK2ADORA3KDM4E
SCHEMBL3587693 0.81 PDE9A (0.45) IP6K1IP6K2PADI4PDE9AKDM4E
SCHEMBL3599166 0.81 PDE9A (0.55) PDE9ARIOK2ADORA3KDM4EALDH1A1
SCHEMBL3597938 0.78 PDE9A (0.59) PDE9AJAK3KDM4EALDH1A1POLB
SCHEMBL3597932 0.78 PDE9A (0.59) PDE9AJAK3KDM4EALDH1A1POLB
SCHEMBL3606270 0.77 ADORA3 (0.41) PDE9ARIOK2ADORA3KDM4EALDH1A1
SCHEMBL3592635 0.77 AURKA (0.44) PDE9ARIOK2ADORA3KDM4EALDH1A1
SCHEMBL3594139 0.77 PDE9A (0.43) PDE9ARIOK2ADORA3JAK3KDM4E

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 IP6K1 2095/4885IP6K2 1832/4885PADI4 104/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 IP6K1 3150/4885IP6K2 2750/4885PADI4 113/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A IP6K1 2095/4885IP6K2 1832/4885PADI4 104/4885

“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.