SCHEMBL3423344

SCHEMBL3423344

CC(CC(=O)Nc1sc2c(c1C#N)CCN(C(=O)Cc1ccncc1)C2)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
L3MBTL1 Q9Y468 1/20 0.58
MAPK10 P53779 2/20 0.49
GRM1 Q13255 8/20 0.48
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
STAT3 P40763 1/20 0.45
MAPK9 P45984 1/20 0.45

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
SCHEMBL3423350 1.00 MEN1 (0.61) MEN1KMT2AL3MBTL1MAPK10GRM1
SCHEMBL3423494 0.92 MEN1 (0.55) MEN1KMT2AL3MBTL1MAPK10GRM1
SCHEMBL3423493 0.92 MEN1 (0.55) MEN1KMT2AL3MBTL1MAPK10GRM1
SCHEMBL3420081 0.92 MEN1 (0.59) MEN1KMT2AL3MBTL1MAPK10GRM1
SCHEMBL3420077 0.92 MEN1 (0.59) MEN1KMT2AL3MBTL1MAPK10GRM1
SCHEMBL2959923 0.90 MEN1 (0.56) MEN1KMT2AL3MBTL1MAPK10GRM1
SCHEMBL2959926 0.90 MEN1 (0.56) MEN1KMT2AL3MBTL1MAPK10GRM1
SCHEMBL2894064 0.89 MEN1 (0.55) MEN1KMT2AL3MBTL1MAPK10GRM1
SCHEMBL2968405 0.89 MEN1 (0.55) MEN1KMT2AL3MBTL1MAPK10GRM1
SCHEMBL2968410 0.89 MEN1 (0.55) MEN1KMT2AL3MBTL1MAPK10GRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258873-A1 Novel tetrahydropyridothiophenes PEKARI KLAUS 2009-10-15 US claimed
US-20080206258-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-08-28 US claimed
EP-1896484-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER Nycomed GmbH (DE) 2008-03-12 EP claimed
WO-2006125813-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER NYCOMED GMBH (DE) 2006-11-30 WO claimed
US-7714136-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-05-11 US disclosed
US-7714136-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-05-11 US disclosed
US-7714136-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-05-11 US disclosed
US-20090258873-A1 Novel tetrahydropyridothiophenes PEKARI KLAUS 2009-10-15 US disclosed
US-20090258873-A1 Novel tetrahydropyridothiophenes PEKARI KLAUS 2009-10-15 US disclosed
US-20080206258-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-08-28 US disclosed
US-20080206258-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-08-28 US disclosed
US-20080206258-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-08-28 US disclosed
EP-1896484-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER Nycomed GmbH (DE) 2008-03-12 EP disclosed
WO-2006125813-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER NYCOMED GMBH (DE) 2006-11-30 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-20080206258-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 MEN1 4691/4885KMT2A 2644/4885L3MBTL1 2416/4885
US-20090258873-A1 Novel tetrahydropyridothiophenes BAX, BCL2, CCAR2 MEN1 4735/4885KMT2A 2418/4885L3MBTL1 2312/4885

“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.