SCHEMBL7913652

SCHEMBL7913652

Cc1cc2c(cc1C(=O)N1Cc3cccc(F)c3C1)[nH]c(=O)c1nnc(C3CC(F)(F)C3)n12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 9/20 0.41
HSP90B1 P14625 3/20 0.40
DPP8 Q6V1X1 2/20 0.33
DPP9 Q86TI2 2/20 0.33
DPP7 Q9UHL4 2/20 0.33
SLC6A9 P48067 1/20 0.33
PLAT P00750 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
NOS1 P29475 1/20 0.32
CYP2C19 P33261 1/20 0.32
NOS2 P35228 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
G6PD P11413 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 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
SCHEMBL7899551 0.89 TRAP1 (0.40) TRAP1HSP90B1
SCHEMBL7913662 0.85 TRAP1 (0.40) TRAP1HSP90B1
SCHEMBL7913641 0.83 PLAT (0.37) TRAP1PLATKDM4EALDH1A1POLB
SCHEMBL10053374 0.82 PDE9A (0.37) SPR
SCHEMBL7909050 0.82 PDE9A (0.39) SPR
SCHEMBL7908911 0.82 TRAP1 (0.40) TRAP1
SCHEMBL7905286 0.81 TRAP1 (0.39) TRAP1
SCHEMBL7898950 0.80 PLAT (0.40) TRAP1HSP90B1PLATCYP3A4CYP2C9
SCHEMBL7905942 0.80 PDE9A (0.40) TRAP1HSP90B1PLATCYP3A4CYP2C9
SCHEMBL15103319 0.80

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 TRAP1 2020/4885HSP90B1 1772/4885DPP8 825/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A TRAP1 2969/4885HSP90B1 2767/4885DPP8 400/4885

“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.