SCHEMBL3597356

SCHEMBL3597356

O=C(c1ccc2[nH]c(=O)c3cnc(-c4ccccc4)n3c2c1)N1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 12/20 0.50
PARP1 P09874 2/20 0.48
MAPK1 P28482 2/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
GFER P55789 1/20 0.44
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 2/20 0.44
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 1/20 0.42
TSHR P16473 1/20 0.42
MGLL Q99685 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
GHSR Q92847 1/20 0.41

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
SCHEMBL3594588 0.99 PARP1 (0.49) HPGDPARP1MAPK1NPC1RAB9A
SCHEMBL3592893 0.92 PARP1 (0.56) HPGDPARP1MAPK1NPC1RAB9A
SCHEMBL3595688 0.91 KDR (0.49) HPGDPARP1ALDH1A1MEN1KMT2A
SCHEMBL3596366 0.91 PARP1 (0.57) HPGDPARP1MAPK1NPC1RAB9A
SCHEMBL3591311 0.90 B3GNT2 (0.47) HPGDSMN1; SMN2ALDH1A1
SCHEMBL3596409 0.85 AKR1C3 (0.45) MEN1KMT2AMGLLL3MBTL1
SCHEMBL3592635 0.85 AURKA (0.44) HPGDPARP1ALDH1A1
SCHEMBL3592994 0.83 PDE9A (0.54) HPGDPARP1NPC1RAB9ASMN1; SMN2
SCHEMBL3600490 0.83 POLB (0.49) HPGDPARP1ALDH1A1MEN1KMT2A
SCHEMBL3606270 0.83 ADORA3 (0.41) HPGDSMN1; SMN2ALDH1A1

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 9 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

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 HPGD 1121/4885PARP1 3075/4885MAPK1 1381/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 HPGD 1092/4885PARP1 3374/4885MAPK1 1748/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A HPGD 1121/4885PARP1 3075/4885MAPK1 1381/4885

“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.