SCHEMBL3595264

SCHEMBL3595264

O=C(c1cc2c(cc1Cl)[nH]c(=O)c1cnc(-c3ccccc3)n12)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.47
PDE5A O76074 1/20 0.45
PDE9A O76083 1/20 0.45
TSHR P16473 4/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 2/20 0.42
GRIN2B Q13224 1/20 0.42
KMT2A Q03164 1/20 0.41
PIN1 Q13526 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
CNR2 P34972 1/20 0.41
SPR P35270 1/20 0.41
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 2/20 0.40
PLAUR Q03405 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL3597131 0.96 PDE9A (0.49) CNR1PDE5APDE9ATSHRMAPT
SCHEMBL3599973 0.88 PDE9A (0.53) PDE5APDE9ATSHRGRIN2BKMT2A
SCHEMBL3592994 0.87 PDE9A (0.54) CNR1PDE5APDE9ATSHRGRIN2B
SCHEMBL3601626 0.86 PDE9A (0.53) PDE5APDE9ATSHRMAPTKMT2A
SCHEMBL3599108 0.85 PDE9A (0.51) PDE5APDE9ASPR
SCHEMBL3593187 0.84 PDE9A (0.52) CNR1PDE5APDE9ASPR
SCHEMBL3591575 0.84 GRIN2D (0.43) PDE5APDE9AMAPTKDM4EGRIN2B
SCHEMBL3591311 0.84 B3GNT2 (0.47) PIN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL3589813 0.84 JAK2 (0.49) CNR1TSHRKMT2APIN1HPGD
SCHEMBL3493339 0.82 PDE9A (0.67) PDE5APDE9AKDM4EALDH1A1HPGD

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 CNR1 281/4885PDE5A 6/4885PDE9A 1/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 CNR1 341/4885PDE5A 8/4885PDE9A 1/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A CNR1 281/4885PDE5A 6/4885PDE9A 1/4885

“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.