SCHEMBL6340519

SCHEMBL6340519

O=C(O)C(CC#Cc1cc2c(S)c(C(=S)NCc3ccc(Cl)cc3)cnc2s1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
PLK4 O00444 1/20 0.33
AURKA O14965 1/20 0.33
PDPK1 O15530 1/20 0.33
DYRK3 O43781 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
CHEK2 O96017 1/20 0.33
RET P07949 1/20 0.33
FGFR1 P11362 1/20 0.33
RPS6KB1 P23443 1/20 0.33
MARK3 P27448 1/20 0.33
MAPK1 P28482 1/20 0.33
AXL P30530 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
CLK2 P49760 1/20 0.33

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
SCHEMBL6635451 0.91 SMN1; SMN2 (0.39) SMN1; SMN2PLK4AURKAPDPK1DYRK3
SCHEMBL6337982 0.87 SMN1; SMN2 (0.33) SMN1; SMN2MAPK1MAPTALDH1A1NR3C1
SCHEMBL6336604 0.86 SMN1; SMN2 (0.32) SMN1; SMN2MAPK1MAPTALDH1A1NPSR1
SCHEMBL6339561 0.84 SMN1; SMN2 (0.36) SMN1; SMN2MAPK1MAPTALDH1A1LMNA
SCHEMBL6708018 0.83 SMN1; SMN2 (0.42) SMN1; SMN2PLK4AURKAPDPK1DYRK3
SCHEMBL6339252 0.82 SMN1; SMN2 (0.34) SMN1; SMN2MAPK1MAPTALDH1A1NR3C1
SCHEMBL6633657 0.80 SMN1; SMN2 (0.41) SMN1; SMN2LMNANR3C1NPSR1RXFP1
SCHEMBL6636279 0.79 SMN1; SMN2 (0.40) SMN1; SMN2NR3C1NPSR1MEN1KMT2A
SCHEMBL6339994 0.77 MAPT (0.37) SMN1; SMN2MAPK1MAPTALDH1A1NR3C1
SCHEMBL6340791 0.77 SMN1; SMN2 (0.35) SMN1; SMN2PLK4AURKAPDPK1DYRK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6924283-B2 4-thioxo-4,7-dihydro-thieno[2,3-b]pyridine-5-carbothioamides as antiviral agents PFIZER (US) 2005-08-02 US claimed
EP-1421088-A1 4-THIOXO-4,7-DIHYDRO-THIENO 2,3-B]PYRIDINE-5-CARBOTHIOAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2004-05-26 EP claimed
US-20030100536-A1 4-Thioxo-4,7-dihydro-thieno[2,3-b]pyridine-5-carbothioamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2003-05-29 US claimed
WO-2003020730-A1 4-THIOXO-4,7-DIHYDRO-THIENO[2,3-B]PYRIDINE-5-CARBOTHIOAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-03-13 WO claimed
WO-2003020728-A1 4-THIOXO-4,7-DIHYDRO-THIENO[2,3-b]PYRIDINE-5-CARBOTHIOAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-03-13 WO claimed
US-6924283-B2 4-thioxo-4,7-dihydro-thieno[2,3-b]pyridine-5-carbothioamides as antiviral agents PFIZER (US) 2005-08-02 US disclosed
EP-1421088-A1 4-THIOXO-4,7-DIHYDRO-THIENO 2,3-B]PYRIDINE-5-CARBOTHIOAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2004-05-26 EP disclosed
US-20030100536-A1 4-Thioxo-4,7-dihydro-thieno[2,3-b]pyridine-5-carbothioamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2003-05-29 US disclosed
WO-2003020730-A1 4-THIOXO-4,7-DIHYDRO-THIENO[2,3-B]PYRIDINE-5-CARBOTHIOAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-03-13 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-20030100536-A1 4-Thioxo-4,7-dihydro-thieno[2,3-b]pyridine-5-carbothioamides as antiviral agents TPMT, TK1, TYMP SMN1; SMN2 2850/4885PLK4 2188/4885AURKA 2016/4885

“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.