SCHEMBL7904368

SCHEMBL7904368

Cc1cc2c(cc1C(=O)N1CCc3c(Cl)cccc3C1)[nH]c(=O)c1nnc(-c3sccc3C)n12

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPR P35270 7/20 0.35
P2RX7 Q99572 4/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TRAP1 Q12931 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33

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
SCHEMBL7908858 0.89 SPR (0.44) SPRALDH1A1LMNAHPGDHTT
SCHEMBL7910744 0.86 ALDH1A1 (0.37) SPRALDH1A1LMNAHPGDHTT
SCHEMBL7906235 0.83 GRIN2D (0.52) SPRP2RX7ALDH1A1LMNAHPGD
SCHEMBL1721897 0.83 PDE9A (0.40) SPRP2RX7ALDH1A1LMNAHPGD
SCHEMBL7909047 0.81 TNKS (0.37) SPRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL12044384 0.78 KRAS (0.46) ALDH1A1LMNAHTTRAB9AHCRTR1
SCHEMBL7913668 0.78 TNKS (0.37)
SCHEMBL7912508 0.77 USP2 (0.38) ALDH1A1HPGDMAPTCYP3A4CYP2D6
SCHEMBL7908143 0.77 KDM4E (0.40) SPRALDH1A1HPGDMAPT
SCHEMBL7905582 0.76 P2RX7 (0.43) SPRP2RX7ALDH1A1HPGDMAPT

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 8 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
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
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 SPR 3000/4885P2RX7 671/4885ALDH1A1 387/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A SPR 2335/4885P2RX7 335/4885ALDH1A1 1344/4885

“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.