SCHEMBL3602913

SCHEMBL3602913

O=C(NCc1ccccn1)c1ccc2[nH]c(=O)c3cnc(-c4ccccc4)n3c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.54
NPC1 O15118 2/20 0.54
POLB P06746 3/20 0.53
LMNA P02545 2/20 0.53
NAMPT P43490 1/20 0.50
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
HTT P42858 3/20 0.49
GAA P10253 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GLA P06280 1/20 0.49
PIK3CA P42336 1/20 0.48
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
MAPK14 Q16539 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 3/20 0.44
DRD2 P14416 1/20 0.44
MAPK1 P28482 1/20 0.44
PPARG P37231 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
SCHEMBL3579512 0.85 PIK3CA (0.55) LMNANAMPTKDM4EALDH1A1HTT
SCHEMBL3604410 0.84 RAB9A (0.50) RAB9ANPC1POLBKDM4EALDH1A1
SCHEMBL3595025 0.82 AURKA (0.47) POLBKDM4EALDH1A1MAPTTLR8
SCHEMBL3600500 0.82 ITK (0.47) NPC1LMNAKDM4EALDH1A1GAA
SCHEMBL3494748 0.82 PARP1 (0.45) RAB9ANPC1KDM4EALDH1A1TLR9
SCHEMBL3602909 0.81 RAB9A (0.51) RAB9ANPC1POLBLMNAKDM4E
SCHEMBL3592635 0.81 AURKA (0.44) POLBKDM4EALDH1A1MAPT
SCHEMBL3599322 0.80 TLR8 (0.47) RAB9ANPC1KDM4EALDH1A1ROCK2
SCHEMBL16227609 0.80 RAB9A (0.47) RAB9ANPC1POLBLMNAKDM4E
SCHEMBL3606270 0.79 ADORA3 (0.41) POLBKDM4EALDH1A1SMN1; SMN2ROCK1

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 RAB9A 43/4885NPC1 4173/4885POLB 2322/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 RAB9A 31/4885NPC1 4463/4885POLB 2232/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A RAB9A 43/4885NPC1 4173/4885POLB 2322/4885

“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.