SCHEMBL7905932

SCHEMBL7905932

O=C(c1ccc2c(c1)[nH]c(=O)c1nnc(C3CCOCC3)n12)N1CCc2c(Cl)cccc2C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
AURKB Q96GD4 1/20 0.38
ENPP2 Q13822 2/20 0.37
KMT2A Q03164 1/20 0.37
PARP1 P09874 1/20 0.36
TRAP1 Q12931 1/20 0.36
BTK Q06187 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPK14 Q16539 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
MTHFD2 P13995 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL7909047 0.90 TNKS (0.37) TNKSTNKS2KMT2A
SCHEMBL7913668 0.90 TNKS (0.37) TNKSTNKS2KMT2A
SCHEMBL7898135 0.86 AURKB (0.41) AURKBENPP2KMT2APARP1TRAP1
SCHEMBL7905815 0.82 TRAP1 (0.39) TRAP1
SCHEMBL1721897 0.82 PDE9A (0.40) TNKSTNKS2TRAP1ALDH1A1HPGD
SCHEMBL1722000 0.81 KDM4E (0.39) AURKBPARP1TRAP1KDM4EMAPK14
SCHEMBL7909018 0.81 GRIN2D (0.51) AURKBKMT2APARP1TRAP1KDM4E
SCHEMBL1721772 0.79 HDAC6 (0.43) KMT2AKDM4ESMN1; SMN2POLBALDH1A1
SCHEMBL7904511 0.79 AKT1 (0.40)
SCHEMBL7908673 0.78 PDE9A (0.47) TNKSTNKS2

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 TNKS 2743/4885TNKS2 2948/4885AURKB 4313/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A TNKS 1273/4885TNKS2 1647/4885AURKB 4294/4885

“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.