Sugi Predict

Sugi Predict / Compounds / SCHEMBL5131623

SCHEMBL5131623

SCHEMBL5131623

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 3/20 0.44
▸ ADORA2B P29275 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ CDC7 O00311 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ HIPK2 Q9H2X6 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ PDE4A P27815 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ RXFP1 Q9HBX9 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
SCHEMBL5035308 0.84 MAPT (0.38) QPCTADORA2BALDH1A1LMNAHTT
SCHEMBL13206028 0.84 ALDH1A1 (0.37) QPCTADORA2BALDH1A1LMNAHTT
SCHEMBL16637864 0.81 ALDH1A1 (0.36) QPCTADORA2BALDH1A1LMNAHTT
SCHEMBL5132729 0.80 ALDH1A1 (0.40) QPCTADORA2BALDH1A1LMNAHTT
SCHEMBL5130407 0.80 ALDH1A1 (0.41) ADORA2BALDH1A1LMNAHTTCYP1A2
SCHEMBL5033927 0.79 ALDH1A1 (0.40) ADORA2BALDH1A1LMNAHTTCYP1A2
SCHEMBL16637755 0.78 ADORA2B (0.35) ADORA2BALDH1A1LMNAHTTCYP1A2
SCHEMBL10406197 0.77 PDE1B (0.47) QPCTALDH1A1LMNAHTTCYP1A2
SCHEMBL14409871 0.77 ALDH1A1 (0.41) ADORA2BALDH1A1LMNAHTTCYP1A2
SCHEMBL5131718 0.77 ADORA2B (0.45) QPCTADORA2BALDH1A1LMNAHTT

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-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-2008070529-A2 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2008-06-12 — — WO 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 QPCT 2302/4885ADORA2B 51/4885ALDH1A1 419/4885

“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.