SCHEMBL7900285

SCHEMBL7900285

Cc1ccc2c(c1)CCCN2C(=O)c1cc2[nH]c(=O)c3cnc(C4CCOCC4)n3c2cc1C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 7/20 0.44
ALDH1A1 P00352 5/20 0.44
POLB P06746 1/20 0.43
PDE5A O76074 1/20 0.42
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 3/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PARP1 P09874 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
SCHEMBL7905610 0.95 PDE9A (0.44) PDE9AALDH1A1POLBPDE5ASMN1; SMN2
SCHEMBL7908024 0.92 PDE9A (0.45) PDE9AALDH1A1PDE5ATSHRKDM4E
SCHEMBL7900287 0.91 PDE9A (0.46) PDE9AALDH1A1PDE5APDK1PDK2
SCHEMBL7896957 0.91 PDE9A (0.41) PDE9AALDH1A1POLBPDE5APDK1
SCHEMBL14828362 0.89 PDE9A (0.44) PDE9APDE5A
SCHEMBL7909213 0.88 PDE9A (0.43) PDE9AALDH1A1POLBPDE5APDK1
SCHEMBL1725452 0.88 PDE9A (0.46) PDE9APDE5A
SCHEMBL12044668 0.88 PDE9A (0.43) PDE9APDE5APDK1PDK2PDK3
SCHEMBL1723938 0.88 PDE9A (0.43) PDE9APDE5A
SCHEMBL10186206 0.87 PDE9A (0.44) PDE9AALDH1A1POLBPDE5ASMN1; 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 6 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
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 PDE9A 1/4885ALDH1A1 387/4885POLB 1816/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A PDE9A 1/4885ALDH1A1 1344/4885POLB 3320/4885

“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.