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SCHEMBL7913641

SCHEMBL7913641

Cc1cc2c(cc1C(=O)N1Cc3ccccc3C1)[nH]c(=O)c1nnc(C3CCC(F)(F)CC3)n12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAT P00750 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ G6PD P11413 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ HKDC1 Q2TB90 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ SPR P35270 2/20 0.34
▸ NAMPT P43490 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ TRAP1 Q12931 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PDE5A O76074 1/20 0.32
▸ PDE9A O76083 1/20 0.32

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
SCHEMBL7905942 0.91 PDE9A (0.40) PLATKDM4EALDH1A1POLBMAPT
SCHEMBL7898950 0.91 PLAT (0.40) PLATKDM4EALDH1A1POLBMAPT
SCHEMBL12044245 0.89 PLAT (0.39) PLATKDM4EALDH1A1POLBMAPT
SCHEMBL1723517 0.88 PLAT (0.38) PLAT
SCHEMBL12044819 0.85 PLAT (0.37) PLAT
SCHEMBL7908131 0.85 PDE9A (0.36) KDM4EALDH1A1POLBMAPTG6PD
SCHEMBL7907690 0.85 PLAT (0.38) PLAT
SCHEMBL12044738 0.84 PLAT (0.35) PLATKDM4EALDH1A1POLBMAPT
SCHEMBL12044846 0.84 PLAT (0.36) PLATSPRNAMPT
SCHEMBL7913652 0.83 TRAP1 (0.41) PLATKDM4EALDH1A1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 PLAT 1514/4885KDM4E 1337/4885ALDH1A1 387/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A PLAT 737/4885KDM4E 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.