SCHEMBL6635451

SCHEMBL6635451

O=C(NCc1ccc(Cl)cc1)c1cnc2sc(C#CCC(C(=O)O)C(=O)O)cc2c1S

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
NR3C1 P04150 2/20 0.38
PLK4 O00444 1/20 0.37
AURKA O14965 1/20 0.37
PDPK1 O15530 1/20 0.37
DYRK3 O43781 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
CHEK2 O96017 1/20 0.37
RET P07949 1/20 0.37
FGFR1 P11362 1/20 0.37
RPS6KB1 P23443 1/20 0.37
MARK3 P27448 1/20 0.37
MAPK1 P28482 1/20 0.37
AXL P30530 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
FLT3 P36888 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37

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
SCHEMBL6340519 0.91 SMN1; SMN2 (0.33) SMN1; SMN2NR3C1PLK4AURKAPDPK1
SCHEMBL6708018 0.90 SMN1; SMN2 (0.42) SMN1; SMN2NR3C1PLK4AURKAPDPK1
SCHEMBL6633657 0.89 SMN1; SMN2 (0.41) SMN1; SMN2NR3C1RXFP1LMNANPSR1
SCHEMBL6636279 0.87 SMN1; SMN2 (0.40) SMN1; SMN2NR3C1NPSR1CYP1A2CYP2C9
SCHEMBL6631493 0.86 SMN1; SMN2 (0.45) SMN1; SMN2NR3C1LMNAHPGDMAPT
SCHEMBL6633253 0.84 SMN1; SMN2 (0.43) SMN1; SMN2NR3C1RXFP1LMNANPSR1
SCHEMBL6635365 0.79 SMN1; SMN2 (0.45) SMN1; SMN2NR3C1PLK4AURKAPDPK1
SCHEMBL6633650 0.79 NR3C1 (0.44) SMN1; SMN2NR3C1RXFP1LMNANPSR1
SCHEMBL6707963 0.79 SMN1; SMN2 (0.44) SMN1; SMN2NR3C1RXFP1LMNANPSR1
SCHEMBL6631936 0.78 RXFP1 (0.46) SMN1; SMN2NR3C1RXFP1LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1421089-A1 4-THIOXO-4,7-DIHYDRO-THIENO 2,3-b]PYRIDINE-5-CARBOXAMIDES AS ANTIVIRAL AGENTS Pharmacia & Upjohn Company (US) 2004-05-26 EP claimed
US-20030109542-A1 4-thioxo-4,7-dihydro-thieno[2,3-b]pyridine-5-carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2003-06-12 US claimed
WO-2003020729-A1 4-THIOXO-4,7-DIHYDRO-THIENO[2,3-b]PYRIDINE-5-CARBOXAMIDES AS ANT IVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-03-13 WO claimed
EP-1421089-A1 4-THIOXO-4,7-DIHYDRO-THIENO 2,3-b]PYRIDINE-5-CARBOXAMIDES AS ANTIVIRAL AGENTS Pharmacia & Upjohn Company (US) 2004-05-26 EP disclosed
US-6620810-B2 Treating a herpesvirus infection, atherosclerosis or restenosis PHARMACIA & UPJOHN COMPANY 2003-09-16 US disclosed
US-20030109542-A1 4-thioxo-4,7-dihydro-thieno[2,3-b]pyridine-5-carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2003-06-12 US disclosed
WO-2003020729-A1 4-THIOXO-4,7-DIHYDRO-THIENO[2,3-b]PYRIDINE-5-CARBOXAMIDES AS ANT IVIRAL 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-20030109542-A1 4-thioxo-4,7-dihydro-thieno[2,3-b]pyridine-5-carboxamides as antiviral agents IRF3, IRAK4, IFNAR1 SMN1; SMN2 3879/4885NR3C1 1076/4885PLK4 2044/4885

“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.