SCHEMBL3588967

SCHEMBL3588967

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 9/20 0.40
PIM2 Q9P1W9 1/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
G6PD P11413 1/20 0.39
PKM P14618 1/20 0.39
ALOX12 P18054 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP26A1 O43174 1/20 0.39
CYP26B1 Q9NR63 1/20 0.39
HTT P42858 2/20 0.38
IP6K1 Q92551 2/20 0.38
IP6K3 Q96PC2 2/20 0.38
IP6K2 Q9UHH9 2/20 0.38
GAA P10253 1/20 0.38
TBK1 Q9UHD2 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
SCHEMBL3587693 0.91 PDE9A (0.45) PADI4PIM2ALDH1A1POLBHPGD
SCHEMBL3600481 0.89 IP6K1 (0.43) PADI4ALDH1A1POLBHPGDKDM4E
SCHEMBL3597936 0.89 IP6K1 (0.43) PADI4ALDH1A1POLBHPGDKDM4E
SCHEMBL16226340 0.83 AKR1C3 (0.38) PADI4ALDH1A1POLBHPGDKDM4E
SCHEMBL3606270 0.79 ADORA3 (0.41) ALDH1A1POLBHPGDKDM4EMAPT
SCHEMBL3588966 0.77 PDE9A (0.53) ALDH1A1POLBHPGDKDM4EMAPT
SCHEMBL3588969 0.77 PDE9A (0.53) ALDH1A1POLBHPGDKDM4EMAPT
SCHEMBL3599166 0.76 PDE9A (0.55) ALDH1A1POLBHPGDKDM4EMAPT
SCHEMBL3591793 0.76 PDE9A (0.52) ALDH1A1POLBHPGDKDM4EMAPT
SCHEMBL3595025 0.76 AURKA (0.47) ALDH1A1POLBHPGDKDM4EMAPT

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 PADI4 104/4885PIM2 2140/4885ALDH1A1 858/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 PADI4 113/4885PIM2 3076/4885ALDH1A1 1387/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A PADI4 104/4885PIM2 2140/4885ALDH1A1 858/4885

“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.