SCHEMBL3585673

SCHEMBL3585673

Cc1cc(C)n(-c2ccc3c(c2)[nH]c(=O)c2cnc(-c4ccccc4)n23)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HPGD P15428 4/20 0.43
HSD17B10 Q99714 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 4/20 0.40
PDE9A O76083 4/20 0.39
PDE5A O76074 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
NTRK1 P04629 1/20 0.38
POLB P06746 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
G6PD P11413 1/20 0.38
PKM P14618 1/20 0.38
ALOX12 P18054 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
ADORA3 P0DMS8 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.37

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
SCHEMBL3593075 0.80 ENPP3 (0.47) ALDH1A1KDM4EGAAPDE9ASMN1; SMN2
SCHEMBL3592763 0.80 ERCC1 (0.39) ALDH1A1HPGDKDM4EMAPTPDE9A
SCHEMBL3585669 0.78 PDE9A (0.50) ALDH1A1HPGDHSD17B10KDM4EGAA
SCHEMBL3591600 0.77 PDE9A (0.58) ALDH1A1HPGDHSD17B10KDM4EKMT2A
SCHEMBL3590864 0.75 PDE9A (0.49) ALDH1A1HPGDKDM4EKMT2AMAPT
SCHEMBL3597567 0.74 FASN (0.46) ALDH1A1HPGDKDM4EMAPTPDE9A
SCHEMBL3592929 0.73 PDE9A (0.67) ALDH1A1HPGDKDM4EKMT2AMAPT
SCHEMBL3596708 0.73 PDE9A (0.41) ALDH1A1HPGDHSD17B10KDM4EKMT2A
SCHEMBL3596617 0.72 PDE2A (0.49) ALDH1A1KDM4EGAAKMT2AMAPT
SCHEMBL3606270 0.71 ADORA3 (0.41) ALDH1A1HPGDKDM4EMAPTPDE9A

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 ALDH1A1 858/4885HPGD 1121/4885HSD17B10 1125/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 ALDH1A1 1387/4885HPGD 1092/4885HSD17B10 1095/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A ALDH1A1 858/4885HPGD 1121/4885HSD17B10 1125/4885

“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.