SCHEMBL3589813

SCHEMBL3589813

O=C(c1ccc2c(c1)[nH]c(=O)c1cnc(-c3ccccc3)n12)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.49
PARP1 P09874 1/20 0.47
JAK1 P23458 2/20 0.46
TYK2 P29597 2/20 0.46
JAK3 P52333 2/20 0.46
AURKB Q96GD4 2/20 0.43
HPGD P15428 2/20 0.43
PLK4 O00444 1/20 0.43
MAP4K4 O95819 1/20 0.43
ROS1 P08922 1/20 0.43
FGFR1 P11362 1/20 0.43
FLT1 P17948 1/20 0.43
MARK3 P27448 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
FLT3 P36888 1/20 0.43
CLK2 P49760 1/20 0.43
CSNK1G2 P78368 1/20 0.43
MAP4K2 Q12851 1/20 0.43
ROCK1 Q13464 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
SCHEMBL3591311 0.92 B3GNT2 (0.47) JAK2JAK1TYK2JAK3AURKB
SCHEMBL3596366 0.91 PARP1 (0.57) PARP1AURKBHPGDMEN1POLB
SCHEMBL3592893 0.90 PARP1 (0.56) PARP1AURKBHPGDMEN1POLB
SCHEMBL3600490 0.89 POLB (0.49) JAK2PARP1AURKBHPGDFGFR1
SCHEMBL3595264 0.84 CNR1 (0.47) HPGDTSHRKMT2AHSD17B10PIN1
SCHEMBL3597131 0.84 PDE9A (0.49) HPGDTSHRKMT2AHSD17B10PIN1
SCHEMBL3590864 0.83 PDE9A (0.49) PARP1HPGDFGFR1CLK4POLB
SCHEMBL3594588 0.83 PARP1 (0.49) PARP1HPGDMEN1TSHRKMT2A
SCHEMBL3597356 0.82 HPGD (0.50) PARP1HPGDMEN1TSHRKMT2A
SCHEMBL3595688 0.81 KDR (0.49) JAK2PARP1HPGDFGFR1FLT1

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 JAK2 1894/4885PARP1 3075/4885JAK1 1740/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 JAK2 2425/4885PARP1 3374/4885JAK1 2327/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A JAK2 1894/4885PARP1 3075/4885JAK1 1740/4885

“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.