SCHEMBL3600490

SCHEMBL3600490

CN1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)c2cnc(-c4ccccc4)n23)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 2/20 0.48
THRB P10828 1/20 0.48
RECQL P46063 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PARP1 P09874 3/20 0.47
JAK2 O60674 1/20 0.47
KDR P35968 2/20 0.47
PDGFRB P09619 1/20 0.47
FGFR1 P11362 1/20 0.47
MGLL Q99685 1/20 0.46
HPGD P15428 2/20 0.45
PDE9A O76083 1/20 0.45
AURKB Q96GD4 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44

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
SCHEMBL3595688 0.92 KDR (0.49) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL3596366 0.92 PARP1 (0.57) POLBALDH1A1MEN1KMT2ATSHR
SCHEMBL3592893 0.91 PARP1 (0.56) POLBALDH1A1MEN1KMT2ATSHR
SCHEMBL3589813 0.89 JAK2 (0.49) POLBMEN1KMT2ATSHRTHRB
SCHEMBL3590864 0.84 PDE9A (0.49) POLBALDH1A1MAPTKMT2APARP1
SCHEMBL3594588 0.84 PARP1 (0.49) ALDH1A1MEN1KMT2ATSHRHSD17B10
SCHEMBL3601626 0.83 PDE9A (0.53) POLBMAPTKMT2ATSHRPARP1
SCHEMBL3597356 0.83 HPGD (0.50) ALDH1A1MEN1KMT2ATSHRHSD17B10
SCHEMBL3592929 0.81 PDE9A (0.67) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL3593075 0.81 ENPP3 (0.47) ALDH1A1TSHRPDE9A

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-2489667-B1 Quinoxaline derivative ASKA PHARM CO LTD (JP) 2015-04-15 EP 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

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 POLB 2322/4885ALDH1A1 858/4885MAPT 4871/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 POLB 2232/4885ALDH1A1 1387/4885MAPT 4868/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A POLB 2322/4885ALDH1A1 858/4885MAPT 4871/4885

“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.