SCHEMBL7907649

SCHEMBL7907649

CN1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)c2nnc(-c4ccc(O)cc4)n23)CC1c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 2/20 0.44
PKM P14618 2/20 0.44
MAPT P10636 1/20 0.44
G6PD P11413 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
P2RX7 Q99572 1/20 0.41
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HSP90AA1 P07900 3/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL7905362 0.91 RAB9A (0.42) ALDH1A1POLBKDM4EPKMMAPT
SCHEMBL10186210 0.85 HPGD (0.44) ALDH1A1POLBKDM4EPKMMAPT
SCHEMBL1726455 0.83 GRIN2D (0.46) ALDH1A1POLBKDM4EPKMP2RX7
SCHEMBL7904292 0.80 P2RX7 (0.47) ALDH1A1POLBKDM4EPKMMAPT
SCHEMBL7907359 0.77 HSP90AA1 (0.41) ALDH1A1POLBKDM4EPKMMAPT
SCHEMBL7905582 0.76 P2RX7 (0.43) ALDH1A1POLBKDM4EPKMMAPT
SCHEMBL1722474 0.75 POLB (0.56) ALDH1A1POLBKDM4EPKMMAPT
SCHEMBL10186512 0.74 P2RX7 (0.41) ALDH1A1POLBKDM4EPKMMAPT
SCHEMBL1722000 0.74 KDM4E (0.39) ALDH1A1POLBKDM4EPKMMAPT
SCHEMBL18214697 0.70 P2RX7 (0.42) ALDH1A1POLBKDM4EPKMP2RX7

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 ALDH1A1 387/4885POLB 1816/4885KDM4E 1337/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A ALDH1A1 1344/4885POLB 3320/4885KDM4E 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.