SCHEMBL3591600

SCHEMBL3591600

O=c1[nH]c2cc(Br)ccc2n2c(-c3ccccc3)ncc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 6/20 0.58
PDE5A O76074 4/20 0.58
TP53 P04637 1/20 0.49
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
G6PD P11413 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK8 P45983 1/20 0.40
DYRK1A Q13627 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 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
SCHEMBL3590864 0.82 PDE9A (0.49) PDE9APDE5AALDH1A1KDM4EPOLB
SCHEMBL3597567 0.81 FASN (0.46) PDE9APDE5AALDH1A1KDM4EPOLB
SCHEMBL1598489 0.80 ALDH1A1 (0.71) PDE9APDE5ATP53ALDH1A1KDM4E
SCHEMBL3587693 0.78 PDE9A (0.45) PDE9APDE5AALDH1A1KDM4EPOLB
SCHEMBL3596708 0.78 PDE9A (0.41) PDE9APDE5ATP53ALDH1A1KDM4E
SCHEMBL3592763 0.78 ERCC1 (0.39) PDE9APDE5AALDH1A1KDM4EPOLB
SCHEMBL3592929 0.78 PDE9A (0.67) PDE9APDE5AALDH1A1KDM4EPOLB
SCHEMBL3585673 0.77 ALDH1A1 (0.43) PDE9APDE5AALDH1A1KDM4EPOLB
SCHEMBL3596617 0.76 PDE2A (0.49) PDE9APDE5AALDH1A1KDM4EPOLB
SCHEMBL3596366 0.76 PARP1 (0.57) PDE9AALDH1A1POLBHPGDMEN1

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 12 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 claimed
US-8299080-B2 Substituted imidazo[1,5-A] quinoxalines as a PDE9 inhibitor ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-10-30 US claimed
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 6/4885TP53 4478/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 PDE9A 1/4885PDE5A 8/4885TP53 4513/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A PDE9A 1/4885PDE5A 6/4885TP53 4478/4885

“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.