SCHEMBL7899497

SCHEMBL7899497

COC(=O)c1cc2nc(Cl)c(NNC(=O)C3CCOCC3)nc2cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
GAA P10253 3/20 0.33
HPGD P15428 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
OPRK1 P41145 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ABL1 P00519 2/20 0.32
GBA1 P04062 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
PTGER1 P34995 1/20 0.31

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
SCHEMBL12060109 0.94 ABL1 (0.33) ALDH1A1KDM4ENPC1RAB9AHSP90AA1
SCHEMBL10053819 0.91 GAA (0.42) ALDH1A1KDM4ENPC1RAB9AHSP90AA1
SCHEMBL12043375 0.91 ALDH1A1 (0.41) ALDH1A1KDM4ENPC1RAB9AHSP90AA1
SCHEMBL7900279 0.90 P2RX7 (0.41) ALDH1A1KDM4ENPC1RAB9AGAA
SCHEMBL12060058 0.89 OPRK1 (0.35) ALDH1A1KDM4ENPC1RAB9AHSP90AA1
SCHEMBL12060037 0.89 PGK1 (0.40) ALDH1A1KDM4EIRAK4GAAHPGD
SCHEMBL12043380 0.89 ALDH1A1 (0.39) ALDH1A1KDM4ENPC1RAB9AHSP90AA1
SCHEMBL12060038 0.88 ALDH1A1 (0.33) ALDH1A1KDM4ENPC1RAB9AGAA
SCHEMBL1721746 0.88 ALDH1A1 (0.38) ALDH1A1KDM4ENPC1RAB9AHSP90AA1
SCHEMBL12060039 0.87 IDH1 (0.34) ALDH1A1KDM4ENPC1RAB9AHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2615096-B1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC (JP) 2019-08-28 EP disclosed
US-8901126-B2 Substituted imidazo[1,5-A]quinoxalin-4-ones are useful for preventing or treating storage dysfunction, voiding dysfunction and bladder/urethral diseases ASTELLAS PHARMA INC. (JP) 2014-12-02 US disclosed
US-8901126-B2 Substituted imidazo[1,5-A]quinoxalin-4-ones are useful for preventing or treating storage dysfunction, voiding dysfunction and bladder/urethral diseases ASTELLAS PHARMA INC. (JP) 2014-12-02 US disclosed
US-8901126-B2 Substituted imidazo[1,5-A]quinoxalin-4-ones are useful for preventing or treating storage dysfunction, voiding dysfunction and bladder/urethral diseases ASTELLAS PHARMA INC. (JP) 2014-12-02 US 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-20130296329-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-07 US disclosed
US-20130296329-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-07 US disclosed
US-20130296329-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-07 US disclosed
EP-2615096-A1 QUINOXALINE COMPOUND Astellas Pharma Inc. (JP) 2013-07-17 EP 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
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
WO-2010101230-A1 QUINOXALINE COMPOUNDS アステラス製薬株式会社 (JP) 2010-09-10 WO 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-20130085134-A1 QUINOXALINE COMPOUND PDE9A, PDE2A, PDE3A ALDH1A1 387/4885KDM4E 1337/4885NPC1 3186/4885
US-20130296329-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE2A ALDH1A1 764/4885KDM4E 630/4885NPC1 3409/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A ALDH1A1 1344/4885KDM4E 641/4885NPC1 3498/4885

“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.