SCHEMBL6380225

SCHEMBL6380225

COc1nc(C)nc(OC)c1S

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
DYRK1A Q13627 2/20 0.33
LMNA P02545 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
HRH2 P25021 1/20 0.32
CYP2C19 P33261 1/20 0.32
ADRA1A P35348 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
ALOX15 P16050 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PDE2A O00408 1/20 0.30

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
SCHEMBL8721097 0.84 CCNA2 (0.33) PKMRXFP1DYRK1ALMNA
SCHEMBL8182248 0.84 LMNA (0.41) PKMRXFP1LMNAHTR1AADRA2A
SCHEMBL12936233 0.72 PKM (0.37) PKMRXFP1DYRK1ALMNAHTR1A
SCHEMBL3674088 0.72 PKM (0.37) PKMRXFP1DYRK1ALMNAHTR1A
SCHEMBL6333400 0.72 ALDH1A1 (0.41) PKMRXFP1DYRK1ALMNAHTR1A
SCHEMBL12649521 0.72 DYRK1A (0.39) PKMRXFP1DYRK1ALMNAHTR1A
SCHEMBL9666350 0.70
SCHEMBL19674748 0.70 PKM (0.36) PKMRXFP1DYRK1ALMNAHTR1A
SCHEMBL10734347 0.67 PKM (0.38) PKMRXFP1DYRK1A
SCHEMBL13752394 0.67 CCNA2 (0.53) PKMRXFP1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165524-B1 METHOD OF PRODUCING THIOBARBITURIC ACID DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2005-06-01 EP claimed
US-6673925-B2 REACTING BIS(4,6-DICHLORO-2-PYRIMIDINE)DISULFIDE WITH HYDROGENOLYSIS AGENT IN THE PRESENCE OF AN INERT SOLVENT AND REACTING HYDROGENOLYSIS PRODUCT WITH ALKALI METAL METHYLATE IN METHANOL SYNGENTA CROP PROTECTION, INC. 2004-01-06 US claimed
US-20020095037-A1 Method of producing thiobarbituric acid derivatives SYNGENTA CROP PROTECTION, INC. 2002-07-18 US claimed
EP-1165524-A2 METHOD OF PRODUCING THIOBARBITURIC ACID DERIVATIVES Syngenta Participations AG (CH) 2002-01-02 EP claimed
WO-2000046213-A2 METHOD OF PRODUCING THIOBARBITURIC ACID DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2000-08-10 WO claimed
CN-219765299-U Synthesis system of chemical intermediate 宁夏润泽欣邦化工有限公司 2023-09-29 CN disclosed
EP-1165524-B1 METHOD OF PRODUCING THIOBARBITURIC ACID DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2005-06-01 EP disclosed
US-6673925-B2 REACTING BIS(4,6-DICHLORO-2-PYRIMIDINE)DISULFIDE WITH HYDROGENOLYSIS AGENT IN THE PRESENCE OF AN INERT SOLVENT AND REACTING HYDROGENOLYSIS PRODUCT WITH ALKALI METAL METHYLATE IN METHANOL SYNGENTA CROP PROTECTION, INC. 2004-01-06 US disclosed
US-20020095037-A1 Method of producing thiobarbituric acid derivatives SYNGENTA CROP PROTECTION, INC. 2002-07-18 US disclosed
EP-1165524-A2 METHOD OF PRODUCING THIOBARBITURIC ACID DERIVATIVES Syngenta Participations AG (CH) 2002-01-02 EP disclosed
WO-2000046213-A2 METHOD OF PRODUCING THIOBARBITURIC ACID DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2000-08-10 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 (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-20020095037-A1 Method of producing thiobarbituric acid derivatives BHMT2, MGMT, MRM1 PKM 759/4885RXFP1 4565/4885DYRK1A 4332/4885

“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.