SCHEMBL5133382

SCHEMBL5133382

CCCCn1c(=O)[nH]c2sc(Br)c(C)c2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
ADORA2B P29275 4/20 0.40
PDE4A P27815 2/20 0.40
ADORA2A P29274 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
QPCT Q16769 2/20 0.37
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.35
USP2 O75604 2/20 0.35
POLB P06746 2/20 0.35
KEAP1 Q14145 2/20 0.35
NFE2L2 Q16236 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL5129502 0.92 MAPT (0.41) MAPTATMADORA2BPDE4AADORA2A
SCHEMBL5035308 0.85 MAPT (0.38) MAPTADORA2BPDE4AADORA2APDE4B
SCHEMBL5427450 0.80 ADORA2B (0.38) MAPTATMADORA2BPDE4AADORA2A
SCHEMBL5133070 0.79 PDE1A (0.35) ADORA2BQPCTKDM4EALDH1A1GAA
SCHEMBL14945530 0.78 GRIN2D (0.35) MAPTADORA2BQPCTKDM4EALDH1A1
SCHEMBL5132724 0.77 ALDH1A1 (0.38) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL14945533 0.77 ALDH1A1 (0.34) MAPTADORA2BQPCTALDH1A1SMN1; SMN2
SCHEMBL31750226 0.76 ALDH1A1 (0.56) MAPTADORA2BKDM4EALDH1A1USP2
SCHEMBL5132389 0.73 ADORA2B (0.66) MAPTATMADORA2BPDE4AADORA2A
SCHEMBL18080704 0.73 TRPC5 (0.46) ADORA2BPDE4AADORA2APDE4BPDE4C

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1989210-A2 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2008-11-12 EP disclosed
WO-2007103776-A2 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2007-09-13 WO disclosed
US-20070208040-A1 e.g. 3-ethyl-5-methyl-1,3-dihydrothiopheno[2,3-d]pyrimidine-2,4-dione; neurodegenerative disorders, antiischemic agent, antidepressant, attention deficit disorder, hepatic fibrosis, cirrhosis of the liver, and drug addiction GILEAD PALO ALTO, INC. 2007-09-06 US 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 (1 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-20070208040-A1 e.g. 3-ethyl-5-methyl-1,3-dihydrothiopheno[2,3-d]pyrimidine-2,4-dione; neurodegenerative disorders, antiischemic agent, antidepressant, attention deficit disorder, hepatic fibrosis, cirrhosis of the liver, and drug addiction CHRNE, CHRNA3, CHRNA1 MAPT 403/4885ATM 2157/4885ADORA2B 51/4885

“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.