Sugi Predict

Sugi Predict / Compounds / SCHEMBL5132252

SCHEMBL5132252

SCHEMBL5132252

CCn1c(=O)[nH]c2sc(-c3ccoc3)c(C)c2c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMIGD3 P0DMS9 2/20 0.40
▸ ADORA1 P30542 2/20 0.40
▸ CYP1A2 P05177 2/20 0.35
▸ ADORA2B P29275 3/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ LMNA P02545 3/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ HTT P42858 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ PLA2G1B P04054 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ATG4B Q9Y4P1 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ NCOA2 Q15596 1/20 0.32
▸ NCOA1 Q15788 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ RXFP1 Q9HBX9 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
SCHEMBL5132710 0.87 TMIGD3 (0.38) TMIGD3ADORA1ADORA2BALDH1A1LMNA
SCHEMBL5131718 0.83 ADORA2B (0.45) ADORA1CYP1A2ADORA2BALDH1A1LMNA
SCHEMBL5132957 0.81 CDC7 (0.44) TMIGD3ADORA1CYP1A2ADORA2BALDH1A1
SCHEMBL5133333 0.80 KDM4E (0.42) CYP1A2ADORA2BALDH1A1LMNAADORA3
SCHEMBL5130696 0.80 KDM4E (0.40) CYP1A2ADORA2BALDH1A1LMNAHTT
SCHEMBL5130992 0.78 TRPC5 (0.37) CYP1A2ADORA2BALDH1A1LMNAADORA3
SCHEMBL5129176 0.77 CYP2C19 (0.42) CYP1A2ADORA2BALDH1A1LMNAADORA3
SCHEMBL5130829 0.77 ADORA2B (0.38) CYP1A2ADORA2BALDH1A1LMNAADORA3
SCHEMBL5132022 0.76 TRPC5 (0.51) TMIGD3ADORA1ADORA2BALDH1A1ADORA3
SCHEMBL5129546 0.76 ADORA2B (0.42) CYP1A2ADORA2BALDH1A1LMNAADORA3

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 TMIGD3 1727/4885ADORA1 32/4885CYP1A2 1477/4885

“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.