SCHEMBL5129250

SCHEMBL5129250

Cc1c(C2=N[C@@H](C)CO2)sc2c1c(=O)n(CC(C)C)c(=O)n2C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 9/20 0.38
SLC16A3 O15427 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
SLC16A1 P53985 1/20 0.34
PDE1A P54750 3/20 0.32
PDE1B Q01064 3/20 0.32
PDE1C Q14123 3/20 0.32
PDE2A O00408 2/20 0.32
CFTR P13569 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL5125679 0.88 TRPC5 (0.37) TRPC5SLC16A3CYP3A4CYP2C9SLC16A1
SCHEMBL5125725 0.87 TRPC5 (0.41) TRPC5LMNAALDH1A1
SCHEMBL5132512 0.81 TRPC5 (0.38) TRPC5SLC16A3CYP3A4CYP2C9SLC16A1
SCHEMBL5132954 0.79 PDE1A (0.30) PDE1APDE1BPDE1CPDE2A
SCHEMBL5132267 0.72 ACACA (0.41) TRPC5
SCHEMBL5132776 0.71 TRPC5 (0.41) TRPC5CYP3A4PDE1APDE1BPDE1C
SCHEMBL5032029 0.69 ADORA2B (0.35)
SCHEMBL5133398 0.69 ADORA2B (0.35)
SCHEMBL5132788 0.69 MAPT (0.32) LMNAALDH1A1
SCHEMBL5132393 0.69 MAPT (0.32) LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 TRPC5 2094/4885SLC16A3 4137/4885CYP3A4 2811/4885

“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.