SCHEMBL2965526

SCHEMBL2965526

COc1ccccc1C(C)CC(=O)Nc1sc2c(c1C#N)CCN(C(=O)Cn1ccnc1C)C2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
ALDH1A1 P00352 4/20 0.45
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
STAT3 P40763 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK10 P53779 2/20 0.44
NPC1 O15118 1/20 0.42
GRM5 P41594 1/20 0.41
MAPK9 P45984 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL2965530 1.00 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2964545 0.95 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2964547 0.95 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2961199 0.93 MAPK10 (0.46) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2961197 0.93 MAPK10 (0.46) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2954767 0.90 MEN1 (0.48) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2954770 0.90 MEN1 (0.48) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3422931 0.89 MEN1 (0.52) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL3422937 0.89 MEN1 (0.52) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL3346618 0.89 L3MBTL1 (0.46) MEN1KMT2AALDH1A1MAPTSMN1; SMN2

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 MEN1 4735/4885KMT2A 2418/4885ALDH1A1 632/4885
US-20080260749-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 MEN1 4691/4885KMT2A 2644/4885ALDH1A1 615/4885

“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.