SCHEMBL2961854

SCHEMBL2961854

CCOc1ccccc1C(C)CC(=O)Nc1sc2c(c1C#N)CCN(C(=O)Cc1cccnc1)C2

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
L3MBTL1 Q9Y468 2/20 0.49
GRM1 Q13255 6/20 0.45
STAT3 P40763 2/20 0.44
MAPK10 P53779 1/20 0.43
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL2961859 1.00 MEN1 (0.52) MEN1KMT2AL3MBTL1GRM1STAT3
SCHEMBL2955896 0.94 MEN1 (0.53) MEN1KMT2AL3MBTL1GRM1STAT3
SCHEMBL2955894 0.94 MEN1 (0.53) MEN1KMT2AL3MBTL1GRM1STAT3
SCHEMBL2965625 0.93 MEN1 (0.49) MEN1KMT2AL3MBTL1GRM1STAT3
SCHEMBL2965623 0.93 MEN1 (0.49) MEN1KMT2AL3MBTL1GRM1STAT3
SCHEMBL2962113 0.92 MEN1 (0.54) MEN1KMT2AL3MBTL1GRM1STAT3
SCHEMBL2962111 0.92 MEN1 (0.54) MEN1KMT2AL3MBTL1GRM1STAT3
SCHEMBL3352206 0.91 MEN1 (0.49) MEN1KMT2AL3MBTL1GRM1STAT3
SCHEMBL3352201 0.91 MEN1 (0.49) MEN1KMT2AL3MBTL1GRM1STAT3
SCHEMBL2887183 0.91 MEN1 (0.49) MEN1KMT2AL3MBTL1GRM1STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES PEKARI KLAUS 2009-10-15 US claimed
US-20080260749-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-10-23 US claimed
EP-1893618-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER Nycomed GmbH (DE) 2008-03-05 EP claimed
WO-2006125815-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER NYCOMED GMBH (DE) 2006-11-30 WO claimed
US-7763728-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-07-27 US disclosed
US-7763728-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-07-27 US disclosed
US-7763728-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-07-27 US disclosed
US-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES PEKARI KLAUS 2009-10-15 US disclosed
US-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES PEKARI KLAUS 2009-10-15 US disclosed
US-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES PEKARI KLAUS 2009-10-15 US disclosed
US-20080260749-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-10-23 US disclosed
US-20080260749-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-10-23 US disclosed
US-20080260749-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-10-23 US disclosed
EP-1893618-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER Nycomed GmbH (DE) 2008-03-05 EP disclosed
WO-2006125815-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-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES BAX, BCL2, CCAR2 MEN1 4735/4885KMT2A 2418/4885L3MBTL1 2312/4885
US-20080260749-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 MEN1 4691/4885KMT2A 2644/4885L3MBTL1 2416/4885

“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.