SCHEMBL2970537

SCHEMBL2970537

COC(=O)Cn1cc(C)nc1C

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 3/20 0.40
POLB P06746 2/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
RXFP1 Q9HBX9 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL18518478 0.83 CASP3 (0.45) GAAMAPTHTTALDH1A1HSD17B10
SCHEMBL3580596 0.81 GAA (0.38) GAASMN1; SMN2RAB9AMAPTPOLB
SCHEMBL3587299 0.81 ALDH1A1 (0.38) ALDH1A1KDM4ERXFP1
SCHEMBL3596407 0.80 GAA (0.38) GAASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL4453709 0.79 ALDH1A1 (0.46) MAPTPOLBALDH1A1KDM4ERXFP1
SCHEMBL13072296 0.79 GAA (0.40) GAASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL3589998 0.79 GAA (0.40) GAASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL13712183 0.78 HTT (0.40) HTTRXFP1
SCHEMBL15724295 0.78 KDM4E (0.37) GAASMN1; SMN2RAB9ANPC1POLB
SCHEMBL2960305 0.71 ALPL (0.50) GAASMN1; SMN2MAPTPOLBALDH1A1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324038-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER PEKARI KLAUS 2010-12-23 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-7714135-B2 Tetrahydropyridothiophenes for the treatment of proliferative diseases such as cancer 4SC AG (DE) 2010-05-11 US disclosed
US-7714136-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-05-11 US disclosed
US-20090258873-A1 Novel tetrahydropyridothiophenes PEKARI KLAUS 2009-10-15 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-20090227577-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER PEKARI KLAUS 2009-09-10 US disclosed
US-20090098133-A1 Tetrahydropyridothiophenes as Antiproliferative Agents for the Treatment of Cancer ALTANA PHARMA AG (DE) 2009-04-16 US disclosed
US-20080206258-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-08-28 US disclosed
US-20080096914-A1 Tetrahydropyridothiophenes for the Treatment of Proliferative Diseases Such as Cancer ALTANA PHARMA AG (DE) 2008-04-24 US disclosed
EP-1896484-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER Nycomed GmbH (DE) 2008-03-12 EP 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
EP-1851229-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS 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-2006125813-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
WO-2006084869-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS 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 (8 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-20080096914-A1 Tetrahydropyridothiophenes for the Treatment of Proliferative Diseases Such as Cancer MKI67, CCNT1, RB1 GAA 3183/4885SMN1; SMN2 2960/4885RAB9A 1361/4885
US-20090227577-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER CCNO, CCNY, CCNT1 GAA 3566/4885SMN1; SMN2 4393/4885RAB9A 908/4885
US-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES BAX, BCL2, CCAR2 GAA 4360/4885SMN1; SMN2 3283/4885RAB9A 1361/4885
US-20090252706-A1 Tetrahydropyridothiophenes As Antripoliferative Agents For The Treatment Of Cancer RAB1A, RAB7A, RAB35 GAA 1616/4885SMN1; SMN2 4845/4885RAB9A 19/4885
US-20100324038-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER CCNT1, MALT1, CCNA1 GAA 3288/4885SMN1; SMN2 4289/4885RAB9A 1252/4885
US-20080206258-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 GAA 4321/4885SMN1; SMN2 3422/4885RAB9A 1221/4885
US-20090098133-A1 Tetrahydropyridothiophenes as Antiproliferative Agents for the Treatment of Cancer MKI67, BCL2, BAX GAA 3481/4885SMN1; SMN2 2882/4885RAB9A 1629/4885
US-20090258873-A1 Novel tetrahydropyridothiophenes BAX, BCL2, CCAR2 GAA 4360/4885SMN1; SMN2 3283/4885RAB9A 1361/4885

“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.