SCHEMBL3595688

SCHEMBL3595688

CN1CCN(C(=O)c2ccc3[nH]c(=O)c4cnc(-c5ccccc5)n4c3c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
PARP1 P09874 4/20 0.46
JAK2 O60674 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
FGFR1 P11362 2/20 0.44
PDGFRB P09619 1/20 0.44
FLT1 P17948 1/20 0.44
MGLL Q99685 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
ATR Q13535 1/20 0.43
GRM5 P41594 2/20 0.43
ALK Q9UM73 1/20 0.43
MEN1 O00255 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
SCHEMBL3600490 0.92 POLB (0.49) KDRPOLBALDH1A1MAPTPARP1
SCHEMBL3594588 0.92 PARP1 (0.49) ALDH1A1PARP1HPGDTSHRMGLL
SCHEMBL3597356 0.91 HPGD (0.50) ALDH1A1PARP1HPGDTSHRMGLL
SCHEMBL3591311 0.89 B3GNT2 (0.47) KDRALDH1A1JAK2HPGDFGFR1
SCHEMBL1722474 0.85 POLB (0.56) KDRPOLBALDH1A1MAPTPARP1
SCHEMBL3596409 0.84 AKR1C3 (0.45) MGLLATRMEN1KMT2A
SCHEMBL3606270 0.84 ADORA3 (0.41) KDRPOLBALDH1A1MAPTJAK2
SCHEMBL3592635 0.84 AURKA (0.44) POLBALDH1A1MAPTPARP1HPGD
SCHEMBL3596366 0.84 PARP1 (0.57) POLBALDH1A1PARP1HPGDTSHR
SCHEMBL3601626 0.83 PDE9A (0.53) KDRPOLBMAPTPARP1TSHR

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 KDR 3706/4885POLB 2322/4885ALDH1A1 858/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 KDR 4407/4885POLB 2232/4885ALDH1A1 1387/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A KDR 3706/4885POLB 2322/4885ALDH1A1 858/4885

“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.