SCHEMBL7908413

SCHEMBL7908413

Cc1cc2c(cc1C(=O)N1CCOC(c3ccc(Cl)cc3)C1)[nH]c(=O)c1nnc(-c3cccs3)n12

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.35
KRAS P01116 3/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
FASN P49327 3/20 0.34
KCNH2 Q12809 2/20 0.33
PARP1 P09874 1/20 0.33
MAPT P10636 1/20 0.33
CHRM1 P11229 1/20 0.32
ERG P11308 1/20 0.32
TACR3 P29371 1/20 0.32

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
SCHEMBL14828369 0.94 KRAS (0.35) PDE2AKRASTSHRFASNKCNH2
SCHEMBL12044387 0.89 PDE2A (0.36) PDE2AKRASLMNAFASNCHRM1
SCHEMBL7905590 0.83 KRAS (0.37) PDE2AKRASFASNMAPT
SCHEMBL7908855 0.80 PDE2A (0.37) PDE2AKRASFASNMAPT
SCHEMBL12060041 0.80 SMN1; SMN2 (0.40) LMNATSHRHTTMAPT
SCHEMBL12060172 0.79 KCNH2 (0.35) KCNH2PARP1MAPTERGTACR3
SCHEMBL12044384 0.79 KRAS (0.46) PDE2AKRASLMNAHTTCHRM1
SCHEMBL10186483 0.77 GRIN2D (0.45) PDE2AKRASFASN
SCHEMBL7907361 0.74 KRAS (0.37) PDE2AKRASTSHRMAPT
SCHEMBL10186589 0.74 PLAUR (0.43) LMNATSHRHTTMAPT

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 PDE2A 2/4885KRAS 4483/4885ADORA3 3131/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A PDE2A 4/4885KRAS 4690/4885ADORA3 2705/4885

“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.