Sugi Predict

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SCHEMBL7905942

SCHEMBL7905942

Cc1cc2c(cc1C(=O)N1Cc3ccccc3C1)[nH]c(=O)c1nnc(C3CCCC3)n12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 4/20 0.40
▸ PLAT P00750 2/20 0.40
▸ PDE5A O76074 2/20 0.39
▸ SPR P35270 2/20 0.36
▸ TRAP1 Q12931 3/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ G6PD P11413 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ HKDC1 Q2TB90 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ PDE1A P54750 1/20 0.35
▸ PDE1B Q01064 1/20 0.35
▸ PDE1C Q14123 1/20 0.35
▸ HSP90B1 P14625 2/20 0.34
▸ HSP90AA1 P07900 1/20 0.34

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
SCHEMBL7898950 0.98 PLAT (0.40) PDE9APLATPDE5ASPRTRAP1
SCHEMBL12044245 0.93 PLAT (0.39) PDE9APLATPDE5ASPRTRAP1
SCHEMBL1723517 0.92 PLAT (0.38) PLAT
SCHEMBL12044846 0.91 PLAT (0.36) PLATSPR
SCHEMBL7913641 0.91 PLAT (0.37) PDE9APLATPDE5ASPRTRAP1
SCHEMBL12044819 0.89 PLAT (0.37) PLAT
SCHEMBL1723638 0.89 PLAT (0.36) PLATSPRTRAP1ALDH1A1KDM4E
SCHEMBL7907690 0.89 PLAT (0.38) PLAT
SCHEMBL1723636 0.89 PLAT (0.36) PLATSPRTRAP1ALDH1A1KDM4E
SCHEMBL1723639 0.89 PLAT (0.36) PLATSPRTRAP1ALDH1A1KDM4E

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 8 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
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 PDE9A 1/4885PLAT 1514/4885PDE5A 4/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A PDE9A 1/4885PLAT 737/4885PDE5A 2/4885

“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.