SCHEMBL7907652

SCHEMBL7907652

Cc1cc2c(cc1C(=O)O)[nH]c(=O)c1nnc(-c3ccccc3)n12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62
POLB P06746 1/20 0.62
MAPT P10636 1/20 0.62
G6PD P11413 1/20 0.62
PKM P14618 1/20 0.62
HPGD P15428 1/20 0.62
ALOX12 P18054 1/20 0.62
HKDC1 Q2TB90 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
PDE2A O00408 4/20 0.41
MAOA P21397 1/20 0.40
LDHA P00338 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIA1 P42261 2/20 0.37
GRIA2 P42262 2/20 0.37

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
SCHEMBL7905844 0.85 KDM4E (0.53) KDM4EALDH1A1POLBMAPTG6PD
SCHEMBL3586904 0.83 KDM4E (0.68) KDM4EALDH1A1POLBMAPTG6PD
SCHEMBL7908143 0.82 KDM4E (0.40) KDM4EALDH1A1POLBMAPTG6PD
SCHEMBL9037068 0.79 KDM4E (0.69) KDM4EALDH1A1POLBMAPTG6PD
SCHEMBL3598272 0.79 KDM4E (0.53) KDM4EALDH1A1POLBMAPTG6PD
SCHEMBL1721656 0.79 ALDH1A1 (0.61) KDM4EALDH1A1POLBMAPTG6PD
SCHEMBL1721719 0.79 KDM4E (0.61) KDM4EALDH1A1POLBMAPTG6PD
SCHEMBL7911516 0.78 GRIN2D (0.64) KDM4EALDH1A1POLBMAPTG6PD
SCHEMBL7904481 0.78 ALDH1A1 (0.45) KDM4EALDH1A1POLBMAPTG6PD
SCHEMBL3602252 0.77 PDE2A (0.65) KDM4EALDH1A1POLBMAPTG6PD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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 KDM4E 1337/4885ALDH1A1 387/4885POLB 1816/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A KDM4E 641/4885ALDH1A1 1344/4885POLB 3320/4885

“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.