SCHEMBL2893552

SCHEMBL2893552

COc1cccc([C@@H](C)CC(=O)Nc2sc3c(c2C#N)CCNC3)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
MAPT P10636 3/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
SIGMAR1 Q99720 1/20 0.45
POLB P06746 4/20 0.44
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
TGFBR1 P36897 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
SCHEMBL2893549 1.00 ALDH1A1 (0.51) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL2954776 0.92 RAB9A (0.49) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL2954772 0.92 RAB9A (0.49) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL3420630 0.89 RAB9A (0.51) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL3420625 0.89 RAB9A (0.51) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL3422162 0.88 RAB9A (0.42) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL3421574 0.88 LMNA (0.43) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3421573 0.88 LMNA (0.43) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3422167 0.88 RAB9A (0.42) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL2887687 0.88 ALDH1A1 (0.47) ALDH1A1MAPTKMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100285149-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES 4SC AG (DE) 2010-11-11 US disclosed
US-7763728-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-07-27 US disclosed
US-7741488-B2 Tetrahydropyridothiophenes as antiproliferative agents for the treatment of cancer 4SC AG (DE) 2010-06-22 US disclosed
US-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES PEKARI KLAUS 2009-10-15 US disclosed
US-20090252706-A1 Tetrahydropyridothiophenes As Antripoliferative Agents For The Treatment Of Cancer PEKARI KLAUS 2009-10-08 US disclosed
US-20090098133-A1 Tetrahydropyridothiophenes as Antiproliferative Agents for the Treatment of Cancer ALTANA PHARMA AG (DE) 2009-04-16 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
EP-1851230-A1 TETRAHYDROPYRIDOTHIOPHENES AS ANTRIPOLIFERATIVE AGENTS FOR THE TREATMENT OF CANCER Nycomed GmbH (DE) 2007-11-07 EP disclosed
WO-2006125815-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER NYCOMED GMBH (DE) 2006-11-30 WO disclosed
WO-2006084904-A1 TETRAHYDROPYRIDOTHIOPHENES AS ANTRIPOLIFERATIVE AGENTS FOR THE TREATMENT OF CANCER NYCOMED GMBH (DE) 2006-08-17 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 (5 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-20100285149-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES BAX, CCAR2, BCL2 ALDH1A1 566/4885MAPT 1389/4885KMT2A 2606/4885
US-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES BAX, BCL2, CCAR2 ALDH1A1 632/4885MAPT 1166/4885KMT2A 2418/4885
US-20090252706-A1 Tetrahydropyridothiophenes As Antripoliferative Agents For The Treatment Of Cancer RAB1A, RAB7A, RAB35 ALDH1A1 1497/4885MAPT 3736/4885KMT2A 1827/4885
US-20080260749-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 ALDH1A1 615/4885MAPT 1276/4885KMT2A 2644/4885
US-20090098133-A1 Tetrahydropyridothiophenes as Antiproliferative Agents for the Treatment of Cancer MKI67, BCL2, BAX ALDH1A1 576/4885MAPT 2223/4885KMT2A 2436/4885

“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.