SCHEMBL3595025

SCHEMBL3595025

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.47
BAZ2B Q9UIF8 1/20 0.43
ALDH1A1 P00352 2/20 0.40
ATM Q13315 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
G6PD P11413 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
B3GNT2 Q9NY97 2/20 0.39
PDE9A O76083 1/20 0.39
CHEK2 O96017 1/20 0.39
IP6K1 Q92551 1/20 0.38
IP6K3 Q96PC2 1/20 0.38
IP6K2 Q9UHH9 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
SCHEMBL3606270 0.88 ADORA3 (0.41) AURKAALDH1A1ADORA3KDM4EPOLB
SCHEMBL3592635 0.88 AURKA (0.44) AURKAALDH1A1ADORA3KDM4EPOLB
SCHEMBL3600500 0.85 ITK (0.47) ALDH1A1KDM4EHPGDACSS2
SCHEMBL3599166 0.85 PDE9A (0.55) ALDH1A1ADORA3KDM4EPOLBMAPT
SCHEMBL3604410 0.85 RAB9A (0.50) ALDH1A1KDM4EPOLBMAPTPKM
SCHEMBL3598840 0.83 NAMPT (0.54) ALDH1A1KDM4EMAPT
SCHEMBL3597883 0.83 TUBB4A (0.51) ALDH1A1ADORA3KDM4EPOLBMAPT
SCHEMBL1721656 0.83 ALDH1A1 (0.61) AURKABAZ2BALDH1A1ADORA3KDM4E
SCHEMBL3602913 0.82 RAB9A (0.54) ALDH1A1KDM4EPOLBMAPTTLR8
SCHEMBL3602302 0.82 HPGD (0.45) ALDH1A1ADORA3KDM4EPOLBMAPT

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 AURKA 2516/4885BAZ2B 1874/4885ALDH1A1 858/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 AURKA 3587/4885BAZ2B 2052/4885ALDH1A1 1387/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A AURKA 2516/4885BAZ2B 1874/4885ALDH1A1 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.