SCHEMBL7907134

SCHEMBL7907134

Cc1cc2c(cc1C(=O)N1CCCC(c3ccccc3)C1)[nH]c(=O)c1nnc(-c3sccc3C)n12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.40
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 1/20 0.39
HIF1A Q16665 1/20 0.39
SPR P35270 2/20 0.38
PROKR1 Q8TCW9 2/20 0.38
TSHR P16473 2/20 0.37
ROCK2 O75116 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL18214709 0.91 MYC (0.37) MYCKDM5AKDM4CKDM5BALDH1A1
SCHEMBL12060041 0.89 SMN1; SMN2 (0.40) MYCKDM5AKDM4CKDM5BALDH1A1
SCHEMBL7905582 0.88 P2RX7 (0.43) ALDH1A1HPGDSPRNPC1MAPT
SCHEMBL7905585 0.87 KDM4E (0.34) ALDH1A1HPGDSPRMAPT
SCHEMBL7905590 0.86 KRAS (0.37) ALDH1A1HPGDSPRMAPT
SCHEMBL7910744 0.83 ALDH1A1 (0.37) ALDH1A1HPGDLMNASPRNPC1
SCHEMBL7912508 0.80 USP2 (0.38) ALDH1A1HPGDHIF1ATSHRMAPT
SCHEMBL7912548 0.80 ROCK2 (0.43) MYCKDM5AKDM4CKDM5BALDH1A1
SCHEMBL7908143 0.80 KDM4E (0.40) ALDH1A1HPGDSPRMAPTMEN1
SCHEMBL12044384 0.80 KRAS (0.46) ALDH1A1LMNANPC1RAB9ASMN1; SMN2

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 5 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-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
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 MYC 4864/4885KDM5A 437/4885KDM4C 1425/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A MYC 4878/4885KDM5A 105/4885KDM4C 513/4885

“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.