SCHEMBL3593075

SCHEMBL3593075

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 6/20 0.47
ALPL P05186 6/20 0.47
XIAP P98170 6/20 0.47
PDE9A O76083 2/20 0.44
PDE4B Q07343 2/20 0.42
NPSR1 Q6W5P4 2/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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 0.83 PDE9A (0.49) PDE9AALDH1A1KDM4E
SCHEMBL3600490 0.81 POLB (0.49) PDE9ATSHRALDH1A1
SCHEMBL3596366 0.81 PARP1 (0.57) PDE9AGAATSHRALDH1A1SMN1; SMN2
SCHEMBL3592929 0.81 PDE9A (0.67) PDE9AALDH1A1KDM4E
SCHEMBL3592893 0.80 PARP1 (0.56) PDE9AGAATSHRALDH1A1SMN1; SMN2
SCHEMBL3585673 0.80 ALDH1A1 (0.43) PDE9AGAATSHRALDH1A1KDM4E
SCHEMBL3593069 0.79 PDE9A (0.51) ENPP3ALPLXIAPPDE9ANPSR1
SCHEMBL3596617 0.79 PDE2A (0.49) PDE9AGAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL3589813 0.78 JAK2 (0.49) TSHR
SCHEMBL3594831 0.78 PDE9A (0.53) PDE9AALDH1A1SMN1; SMN2LMNA

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 ENPP3 824/4885ALPL 2320/4885XIAP 4272/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 ENPP3 610/4885ALPL 3370/4885XIAP 3917/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A ENPP3 824/4885ALPL 2320/4885XIAP 4272/4885

“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.