SCHEMBL13166279

SCHEMBL13166279

N#Cc1c(NC(=O)/C=C/c2cccnc2)sc2c1CCN(C(=O)Oc1ccccn1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 5/20 0.48
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
GAA P10253 3/20 0.45
POLB P06746 2/20 0.45
TGFBR1 P36897 1/20 0.44
GRM1 Q13255 3/20 0.43
MAPT P10636 6/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NR0B1 P51843 1/20 0.40
HSD17B10 Q99714 2/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL3354504 1.00 STAT3 (0.48) STAT3MEN1KMT2AGAAPOLB
SCHEMBL13166108 0.90 MEN1 (0.49) STAT3MEN1KMT2AGAAPOLB
SCHEMBL3351584 0.90 MEN1 (0.49) STAT3MEN1KMT2AGAAPOLB
SCHEMBL13166105 0.88 STAT3 (0.51) STAT3MEN1KMT2AGAAPOLB
SCHEMBL3354670 0.88 STAT3 (0.51) STAT3MEN1KMT2AGAAPOLB
SCHEMBL3355814 0.88 STAT3 (0.47) STAT3MEN1KMT2AGAAPOLB
SCHEMBL13166274 0.88 STAT3 (0.47) STAT3MEN1KMT2AGAAPOLB
SCHEMBL13166265 0.87 MEN1 (0.53) STAT3MEN1KMT2AGAAPOLB
SCHEMBL3355093 0.87 MEN1 (0.53) STAT3MEN1KMT2AGAAPOLB
SCHEMBL13166282 0.86 STAT3 (0.46) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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

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.