SCHEMBL6708018

SCHEMBL6708018

O=C(NCc1ccc(Cl)cc1)c1cnc2sc(C#CCC(C(=O)O)C(=O)O)cc2c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
EGLN1 Q9GZT9 1/20 0.40
NR3C1 P04150 2/20 0.39
PPARA Q07869 1/20 0.38
POLA1 P09884 1/20 0.38
PLK4 O00444 1/20 0.38
AURKA O14965 1/20 0.38
PDPK1 O15530 1/20 0.38
DYRK3 O43781 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
CHEK2 O96017 1/20 0.38
RET P07949 1/20 0.38
FGFR1 P11362 1/20 0.38
RPS6KB1 P23443 1/20 0.38
MARK3 P27448 1/20 0.38
MAPK1 P28482 1/20 0.38
AXL P30530 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38

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 0.90 SMN1; SMN2 (0.39) SMN1; SMN2NR3C1PPARAPLK4AURKA
SCHEMBL6707963 0.89 SMN1; SMN2 (0.44) SMN1; SMN2EGLN1NR3C1POLA1HPGD
SCHEMBL6706460 0.87 SMN1; SMN2 (0.43) SMN1; SMN2EGLN1NR3C1POLA1HPGD
SCHEMBL6707878 0.86 SMN1; SMN2 (0.46) SMN1; SMN2EGLN1NR3C1POLA1
SCHEMBL6710933 0.84 SMN1; SMN2 (0.46) SMN1; SMN2EGLN1NR3C1POLA1ALDH1A1
SCHEMBL6340519 0.83 SMN1; SMN2 (0.33) SMN1; SMN2NR3C1PLK4AURKAPDPK1
SCHEMBL6633657 0.79 SMN1; SMN2 (0.41) SMN1; SMN2NR3C1HPGDRXFP1
SCHEMBL6710728 0.78 EGLN1 (0.47) SMN1; SMN2EGLN1NR3C1POLA1ALDH1A1
SCHEMBL6706694 0.78 SMN1; SMN2 (0.48) SMN1; SMN2EGLN1NR3C1POLA1PLK4
SCHEMBL6362898 0.78 RXFP1 (0.46) SMN1; SMN2EGLN1NR3C1POLA1HPGD

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
US-20040102473-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W (US) 2004-05-27 US claimed
EP-1159279-B1 4-OXO-4,7-DIHYDRO-THIENO[2,3-B]PYRIDINE-5-CARBOXAMIDES AS ANTIVIRAL AGENTS UPJOHN CO (US) 2002-10-16 EP claimed
US-20020006937-A1 4-OXO-4,7-dihydro-thieno[2,3-b]pyridine-5-carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-01-17 US claimed
US-6239142-B1 HERPES VIRUS INFECTION PHARMACIA & UPJOHN COMPANY 2001-05-29 US claimed
US-20040102473-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W (US) 2004-05-27 US disclosed
US-6495683-B2 HERPES VIRUS PHARMACIA AND UPJOHN COMPANY 2002-12-17 US disclosed
EP-1159279-B1 4-OXO-4,7-DIHYDRO-THIENO[2,3-B]PYRIDINE-5-CARBOXAMIDES AS ANTIVIRAL AGENTS UPJOHN CO (US) 2002-10-16 EP disclosed
US-20020006937-A1 4-OXO-4,7-dihydro-thieno[2,3-b]pyridine-5-carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-01-17 US disclosed
EP-1159279-A2 4-OXO-4,7-DIHYDRO-THIENO[2,3-B]PYRIDINE-5-CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-12-05 EP disclosed
US-6239142-B1 HERPES VIRUS INFECTION PHARMACIA & UPJOHN COMPANY 2001-05-29 US disclosed
WO-2000053610-A2 4-OXO-4,7-DIHYDRO-THIENO[2,3-b]PYRIDINE-5-CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-09-14 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 (2 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-20040102473-A1 Method of preventing or treating atherosclerosis or restenosis LDLR, MSR1, TGFB1 SMN1; SMN2 3446/4885EGLN1 1710/4885NR3C1 1001/4885
US-20020006937-A1 4-OXO-4,7-dihydro-thieno[2,3-b]pyridine-5-carboxamides as antiviral agents IRF3, IL4, ZC3HAV1 SMN1; SMN2 2141/4885EGLN1 2172/4885NR3C1 592/4885

“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.