SCHEMBL2961358

SCHEMBL2961358

COc1cc(C)nc(CCC(=O)N2CCc3c(sc(NC(=O)CCc4cc(C)ccc4OC)c3C#N)C2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
MAPT P10636 4/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
GRM5 P41594 2/20 0.42
STAT3 P40763 1/20 0.42
POLB P06746 2/20 0.41
PLA2G1B P04054 1/20 0.41
HPGD P15428 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK10 P53779 2/20 0.40
MAPK9 P45984 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
SCHEMBL2955922 0.95 KMT2A (0.48) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL2963003 0.91 KMT2A (0.50) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL4284183 0.88 KMT2A (0.51) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL2969120 0.88 KMT2A (0.52) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL2957114 0.87 MEN1 (0.57) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL2960774 0.87 MEN1 (0.57) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL2970293 0.87 MEN1 (0.51) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL2970193 0.87 KMT2A (0.51) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL2969324 0.86 MEN1 (0.56) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL2970492 0.86 MEN1 (0.48) KMT2AMEN1MAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763728-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-07-27 US claimed
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 KMT2A 2418/4885MEN1 4735/4885MAPT 1166/4885
US-20080260749-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 KMT2A 2644/4885MEN1 4691/4885MAPT 1276/4885

“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.