SCHEMBL2964454

SCHEMBL2964454

COc1ccccc1[C@@H](C)CC(=O)Nc1sc2c(c1C#N)CCN(C(=O)CCn1cnc(C)c1)C2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.46
MAPK9 P45984 1/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
STAT3 P40763 3/20 0.44
KDM4E B2RXH2 1/20 0.44
GRM5 P41594 1/20 0.42
GRM1 Q13255 3/20 0.42
NPC1 O15118 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
SCHEMBL2964451 1.00 MAPK10 (0.46) MAPK10MAPK9MEN1KMT2AL3MBTL1
SCHEMBL2967496 0.95 MAPK10 (0.46) MAPK10MAPK9MEN1KMT2AL3MBTL1
SCHEMBL2967499 0.95 MAPK10 (0.46) MAPK10MAPK9MEN1KMT2AL3MBTL1
SCHEMBL2973926 0.93 MEN1 (0.47) MAPK10MAPK9MEN1KMT2AL3MBTL1
SCHEMBL2973930 0.93 MEN1 (0.47) MAPK10MAPK9MEN1KMT2AL3MBTL1
SCHEMBL3355922 0.91 L3MBTL1 (0.46) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL3355927 0.91 L3MBTL1 (0.46) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL3423535 0.90 MEN1 (0.51) MAPK10MAPK9MEN1KMT2AL3MBTL1
SCHEMBL3423531 0.90 MEN1 (0.51) MAPK10MAPK9MEN1KMT2AL3MBTL1
SCHEMBL2966435 0.88 MAPK10 (0.47) MAPK10MAPK9MEN1KMT2AL3MBTL1

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 10 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-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES PEKARI KLAUS 2009-10-15 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 MAPK10 1331/4885MAPK9 2360/4885MEN1 4735/4885
US-20080260749-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 MAPK10 1273/4885MAPK9 2218/4885MEN1 4691/4885

“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.