Sugi Predict

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SCHEMBL7904372

SCHEMBL7904372

Cc1cc2c(cc1C(=O)O)[nH]c(=O)c1nnc([C@H]3CC[C@@H](O)CC3)n12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 4/20 0.38
▸ KDM4E B2RXH2 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ GRIN2D O15399 2/20 0.35
▸ GRIN3B O60391 2/20 0.35
▸ GRIA1 P42261 2/20 0.35
▸ GRIA2 P42262 2/20 0.35
▸ GRIA3 P42263 2/20 0.35
▸ GRIA4 P48058 2/20 0.35
▸ GRIN1 Q05586 2/20 0.35
▸ GRIN2A Q12879 2/20 0.35
▸ GRIN2B Q13224 2/20 0.35
▸ GRIN2C Q14957 2/20 0.35
▸ GRIN3A Q8TCU5 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ G6PD P11413 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ ALOX12 P18054 1/20 0.35

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
SCHEMBL7905754 1.00 PDE9A (0.38) PDE9AKDM4EALDH1A1GRIN2DGRIN3B
SCHEMBL12043283 0.92 PDE9A (0.38) PDE9AKDM4EALDH1A1GRIN2DGRIN3B
SCHEMBL470981 0.92 PDE9A (0.43) PDE9AKDM4EALDH1A1GRIN2DGRIN3B
SCHEMBL7898752 0.92 PDE9A (0.45) PDE9AKDM4EALDH1A1GRIN2DGRIN3B
SCHEMBL7906299 0.91 PDE9A (0.46) PDE9AKDM4EALDH1A1GRIN2DGRIN3B
SCHEMBL7911518 0.89 PDE9A (0.37) PDE9AKDM4EALDH1A1GRIN2DGRIN3B
SCHEMBL7908131 0.87 PDE9A (0.36) PDE9AKDM4EALDH1A1GRIN2DGRIN3B
SCHEMBL10053427 0.85 PDE9A (0.40) PDE9AKDM4EALDH1A1GRIN2DGRIN3B
SCHEMBL7898759 0.85 PDE9A (0.34) PDE9AKDM4EALDH1A1GRIN2DGRIN3B
SCHEMBL12043339 0.84 KDM4E (0.37) PDE9AKDM4EALDH1A1GRIN2DGRIN3B

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 PDE9A 1/4885KDM4E 1337/4885ALDH1A1 387/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A PDE9A 1/4885KDM4E 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.