SCHEMBL6340004

SCHEMBL6340004

S=C(NCc1ccc(Cl)cc1)c1cn(CCCc2ccccc2)c2sc(CN3CCOCC3)cc2c1=S

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.51
POLA1 P09884 2/20 0.40
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM5B Q9UGL1 1/20 0.36

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
SCHEMBL6348420 0.92 KCNH2 (0.53) KCNH2POLA1ALDH1A1RAB9ATDP1
SCHEMBL6655837 0.92 KCNH2 (0.60) KCNH2POLA1ALDH1A1KDM5B
SCHEMBL6347100 0.88 KCNH2 (0.57) KCNH2POLA1LMNA
SCHEMBL6339030 0.88 KCNH2 (0.55) KCNH2POLA1ALDH1A1SMN1; SMN2LMNA
SCHEMBL6336388 0.86 KCNH2 (0.56) KCNH2POLA1LMNA
SCHEMBL6347119 0.85 KCNH2 (0.49) KCNH2ALDH1A1RAB9ATDP1SMN1; SMN2
SCHEMBL6708208 0.85 KCNH2 (0.73) KCNH2POLA1
SCHEMBL6349435 0.84 KCNH2 (0.70) KCNH2POLA1LMNAMEN1KMT2A
SCHEMBL6345199 0.84 KCNH2 (0.52) KCNH2POLA1ALDH1A1SMN1; SMN2LMNA
SCHEMBL6339924 0.84 KCNH2 (0.49) KCNH2ALDH1A1RAB9ATDP1LMNA

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 8 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
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 KCNH2 2260/4885POLA1 602/4885ALDH1A1 1557/4885

“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.