SCHEMBL3596366

SCHEMBL3596366

O=C(c1ccc2c(c1)[nH]c(=O)c1cnc(-c3ccccc3)n12)N1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.57
HPGD P15428 10/20 0.48
AURKB Q96GD4 1/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
HSD17B10 Q99714 2/20 0.45
POLB P06746 1/20 0.45
THRB P10828 1/20 0.45
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.45
MGLL Q99685 2/20 0.45
ALDH1A1 P00352 4/20 0.44
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
GHSR Q92847 2/20 0.44
PDE9A O76083 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL3592893 0.99 PARP1 (0.56) PARP1HPGDAURKBMAPK1MEN1
SCHEMBL3600490 0.92 POLB (0.49) PARP1HPGDAURKBMEN1KMT2A
SCHEMBL3594588 0.92 PARP1 (0.49) PARP1HPGDMAPK1MEN1KMT2A
SCHEMBL3589813 0.91 JAK2 (0.49) PARP1HPGDAURKBMEN1KMT2A
SCHEMBL3597356 0.91 HPGD (0.50) PARP1HPGDMAPK1MEN1KMT2A
SCHEMBL3590864 0.86 PDE9A (0.49) PARP1HPGDKMT2APOLBALDH1A1
SCHEMBL3595688 0.84 KDR (0.49) PARP1HPGDMEN1KMT2APOLB
SCHEMBL3591311 0.83 B3GNT2 (0.47) HPGDAURKBALDH1A1SMN1; SMN2
SCHEMBL3599973 0.83 PDE9A (0.53) PARP1HPGDMEN1KMT2APOLB
SCHEMBL3592994 0.82 PDE9A (0.54) PARP1HPGDMEN1KMT2ATSHR

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 PARP1 3075/4885HPGD 1121/4885AURKB 3908/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 PARP1 3374/4885HPGD 1092/4885AURKB 4081/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A PARP1 3075/4885HPGD 1121/4885AURKB 3908/4885

“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.