SCHEMBL3353647

SCHEMBL3353647

N#Cc1c(NC(=O)/C=C/c2cccnc2)sc2c1CCN(C(=O)Cc1ccccn1)C2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 4/20 0.48
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
GAA P10253 2/20 0.47
POLB P06746 2/20 0.47
GRM1 Q13255 3/20 0.44
TGFBR1 P36897 1/20 0.44
MAPK10 P53779 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
MAPK9 P45984 1/20 0.42
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
NR0B1 P51843 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3357312 1.00 STAT3 (0.48) STAT3MEN1KMT2AGAAPOLB
SCHEMBL3351943 0.93 MEN1 (0.52) STAT3MEN1KMT2AGAAPOLB
SCHEMBL3351954 0.93 MEN1 (0.52) STAT3MEN1KMT2AGAAPOLB
SCHEMBL3352760 0.90 MEN1 (0.52) STAT3MEN1KMT2AGAAPOLB
SCHEMBL3352779 0.90 MEN1 (0.52) STAT3MEN1KMT2AGAAPOLB
SCHEMBL13166274 0.89 STAT3 (0.47) STAT3MEN1KMT2AGAAPOLB
SCHEMBL3355814 0.89 STAT3 (0.47) STAT3MEN1KMT2AGAAPOLB
SCHEMBL13166282 0.88 STAT3 (0.46) STAT3MEN1KMT2AGAAPOLB
SCHEMBL3355033 0.88 STAT3 (0.46) STAT3MEN1KMT2AGAAPOLB
SCHEMBL3356226 0.88 MEN1 (0.55) STAT3MEN1KMT2AGAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803945-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-09-28 US claimed
EP-1753512-B1 TETRAHYDROPYRIDOTHIOPHENES NYCOMED GMBH (DE) 2008-07-09 EP claimed
US-7803945-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-09-28 US disclosed
US-7803945-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-09-28 US disclosed
US-7803945-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-09-28 US disclosed
US-7723523-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-05-25 US disclosed
US-7723523-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-05-25 US disclosed
US-7723523-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-05-25 US disclosed
US-20090270378-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES NYCOMED GMBH (DE) 2009-10-29 US disclosed
US-20090270378-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES NYCOMED GMBH (DE) 2009-10-29 US disclosed
US-20090270378-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES NYCOMED GMBH (DE) 2009-10-29 US disclosed
EP-1753512-B1 TETRAHYDROPYRIDOTHIOPHENES NYCOMED GMBH (DE) 2008-07-09 EP disclosed
US-20070244112-A1 Novel tetrahydropyridothiophenes ALTANA PHARMA AG (DE) 2007-10-18 US disclosed
US-20070244112-A1 Novel tetrahydropyridothiophenes ALTANA PHARMA AG (DE) 2007-10-18 US disclosed
US-20070244112-A1 Novel tetrahydropyridothiophenes ALTANA PHARMA AG (DE) 2007-10-18 US disclosed
EP-1753512-A2 TETRAHYDROPYRIDOTHIOPHENES Altana Pharma AG (DE) 2007-02-21 EP disclosed
WO-2005118071-A2 TETRAHYDROPYRIDOTHIOPHENES ALTANA PHARMA AG (DE) 2005-12-15 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-20090270378-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES BAX, BCL2, CCAR2 STAT3 251/4885MEN1 4646/4885KMT2A 2220/4885
US-20070244112-A1 Novel tetrahydropyridothiophenes BAX, BCL2, BAD STAT3 359/4885MEN1 4610/4885KMT2A 2358/4885

“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.