SCHEMBL1721967

SCHEMBL1721967

COC(=O)c1cc2nc(Cl)c(OC)nc2cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NQO2 P16083 4/20 0.37
RXFP1 Q9HBX9 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
PLA2G2A P14555 1/20 0.36
CSNK2A1 P68400 1/20 0.36
SERPINH1 P50454 1/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ABL1 P00519 1/20 0.36

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
SCHEMBL1723558 0.89 KDM4E (0.45) GAAKDM4EALDH1A1SMN1; SMN2NQO2
SCHEMBL20878467 0.84 KDM4E (0.40) GAAKDM4EALDH1A1SMN1; SMN2NQO2
SCHEMBL1721360 0.80 PGK1 (0.40) GAAKDM4EALDH1A1SMN1; SMN2NQO2
SCHEMBL12043708 0.80 GAA (0.41) GAAKDM4EALDH1A1SMN1; SMN2NQO2
SCHEMBL20878429 0.79 CSNK2A1 (0.50) KDM4EALDH1A1SMN1; SMN2L3MBTL1NPC1
SCHEMBL12043691 0.75 GAA (0.55) GAAKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL20298364 0.75 GAA (0.47) GAAKDM4EALDH1A1SMN1; SMN2NQO2
Hydrazine SCHEMBL15103335 0.74 ALDH1A1 (0.57) GAAKDM4EALDH1A1SMN1; SMN2NQO2
SCHEMBL1721603 0.74 KDM4E (0.48) GAAKDM4EALDH1A1SMN1; SMN2RXFP1
SCHEMBL12043685 0.72 KDM4E (0.44) GAAKDM4ESMN1; SMN2NQO2RXFP1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2404922-B1 QUINOXALINE COMPOUNDS ASTELLAS PHARMA INC (JP) 2016-11-09 EP disclosed
US-8674096-B2 Substituted imidazo[1,5-a]quinoxalin-4-ones as phosphodiesterase 9 inhibitors ASTELLAS PHARMA INC. (JP) 2014-03-18 US disclosed
US-20130085134-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-04 US disclosed
US-20130085134-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-04 US disclosed
US-20130085134-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-04 US disclosed
US-8357688-B2 Substituted imidazo[1,5-a]quinoxalin-4(5H)-ones as PDE9 inhibitors ASTELLAS PHARMA INC. (JP) 2013-01-22 US disclosed
US-8357688-B2 Substituted imidazo[1,5-a]quinoxalin-4(5H)-ones as PDE9 inhibitors ASTELLAS PHARMA INC. (JP) 2013-01-22 US disclosed
US-8357688-B2 Substituted imidazo[1,5-a]quinoxalin-4(5H)-ones as PDE9 inhibitors ASTELLAS PHARMA INC. (JP) 2013-01-22 US disclosed
EP-2404922-A1 QUINOXALINE COMPOUNDS Astellas Pharma Inc. (JP) 2012-01-11 EP disclosed
US-20110319385-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-12-29 US disclosed
US-20110319385-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-12-29 US disclosed
US-20110319385-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-12-29 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 (2 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-20130085134-A1 QUINOXALINE COMPOUND PDE9A, PDE2A, PDE3A GAA 54/4885KDM4E 1337/4885ALDH1A1 387/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A GAA 20/4885KDM4E 641/4885ALDH1A1 1344/4885

“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.