SCHEMBL7907686

SCHEMBL7907686

CCCc1nnc2c(=O)[nH]c3cc(C(=O)N4CCN(c5ccccn5)CC4)ccc3n12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
KDM4E B2RXH2 4/20 0.50
POLB P06746 2/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 2/20 0.47
MAPK10 P53779 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIA1 P42261 1/20 0.46
GRIA2 P42262 1/20 0.46
GRIA3 P42263 1/20 0.46
GRIA4 P48058 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46

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
SCHEMBL7913627 0.88 MEN1 (0.50) MEN1KMT2APOLBHPGDHSD17B10
SCHEMBL7898175 0.88 GRIN2D (0.53) MEN1KMT2AKDM4EPOLBHPGD
SCHEMBL7908684 0.86 GRIN2D (0.54) MEN1KMT2APOLBHSD17B10HSP90AA1
SCHEMBL7904361 0.85 GRIN2D (0.48) MEN1KMT2AKDM4EPOLBHPGD
SCHEMBL7906716 0.85 MEN1 (0.65) MEN1KMT2AKDM4EPOLBHSD17B10
SCHEMBL7904367 0.84 GRIN2D (0.46) MEN1KMT2AKDM4EPOLBHPGD
SCHEMBL7906360 0.84 GRIN2D (0.54) MEN1KMT2APOLBHPGDHSD17B10
SCHEMBL7912496 0.84 TSHR (0.56) MEN1KMT2AKDM4EPOLBHSD17B10
SCHEMBL7907330 0.84 MEN1 (0.46) MEN1KMT2APOLBHPGDHSD17B10
SCHEMBL7898023 0.83 ALDH1A1 (0.49) MEN1KMT2AKDM4EPOLBHPGD

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 MEN1 3293/4885KMT2A 3086/4885KDM4E 1337/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A MEN1 2870/4885KMT2A 2038/4885KDM4E 641/4885

“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.