SCHEMBL3347382

SCHEMBL3347382

CCOC(=O)N1CCc2c(sc(N)c2C#N)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 1.00
GAA P10253 6/20 1.00
KDM4E B2RXH2 6/20 1.00
ALDH1A1 P00352 9/20 0.71
MEN1 O00255 7/20 0.71
KMT2A Q03164 7/20 0.71
HPGD P15428 5/20 0.71
HSD17B10 Q99714 4/20 0.71
ALOX15 P16050 3/20 0.71
BPTF Q12830 1/20 0.71
MAPK1 P28482 1/20 0.60
CASP1 P29466 1/20 0.60
CASP7 P55210 1/20 0.60
PTK2B Q14289 1/20 0.60
ESR2 Q92731 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.58
ADORA1 P30542 3/20 0.56
SMN1; SMN2 Q16637 4/20 0.53
NPSR1 Q6W5P4 4/20 0.52
TSHR P16473 3/20 0.52

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
SCHEMBL2643671 0.84 MAPT (0.73) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL13366491 0.83 BPTF (0.72) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL3421133 0.83 BPTF (1.00) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL2960524 0.82 BPTF (0.70) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL4035961 0.82 BPTF (0.78) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL2960241 0.81 BPTF (0.72) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL2963988 0.80 MAPT (0.67) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL8288691 0.80 ADORA1 (0.68) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL970355 0.80 ADORA1 (0.83) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL2969418 0.79 BPTF (0.69) MAPTGAAKDM4EALDH1A1MEN1

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 65 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-20100324038-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER PEKARI KLAUS 2010-12-23 US disclosed
US-20100324038-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER PEKARI KLAUS 2010-12-23 US disclosed
US-7803945-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-09-28 US disclosed
US-7803945-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-09-28 US disclosed
US-7803945-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-09-28 US disclosed
US-7741488-B2 Tetrahydropyridothiophenes as antiproliferative agents for the treatment of cancer 4SC AG (DE) 2010-06-22 US disclosed
US-7741488-B2 Tetrahydropyridothiophenes as antiproliferative agents for the treatment of cancer 4SC AG (DE) 2010-06-22 US disclosed
US-7741488-B2 Tetrahydropyridothiophenes as antiproliferative agents for the treatment of cancer 4SC AG (DE) 2010-06-22 US disclosed
US-7723523-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-05-25 US disclosed
US-20070213360-A1 Tetrahydropyridothiophenes for Use in the Treatment of Cancer NYCOMED GMBH (DE) 2007-09-13 US disclosed
US-20070213360-A1 Tetrahydropyridothiophenes for Use in the Treatment of Cancer NYCOMED GMBH (DE) 2007-09-13 US disclosed
EP-1758655-A2 TETRAHYDROPYRIDOTHIOPHENES FOR TREATING HYPERPROLIFERATIVE DISORDERS Altana Pharma AG (DE) 2007-03-07 EP disclosed
EP-1756118-A1 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER Altana Pharma AG (DE) 2007-02-28 EP disclosed
EP-1753512-A2 TETRAHYDROPYRIDOTHIOPHENES Altana Pharma AG (DE) 2007-02-21 EP 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
WO-2005120642-A2 TETRAHYDROPYRIDOTHIOPHENES FOR TREATING HYPERPROLIFERATIVE DISORDERS ALTANA PHARMA AG (DE) 2005-12-22 WO disclosed
WO-2005118592-A1 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER ALTANA PHARMA AG (DE) 2005-12-15 WO disclosed
WO-2005118071-A2 TETRAHYDROPYRIDOTHIOPHENES ALTANA PHARMA AG (DE) 2005-12-15 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-20100324038-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER CCNT1, MALT1, CCNA1 MAPT 3705/4885GAA 3288/4885KDM4E 2362/4885
US-20070213360-A1 Tetrahydropyridothiophenes for Use in the Treatment of Cancer BCL2, BAX, MCL1 MAPT 1402/4885GAA 3762/4885KDM4E 1813/4885

“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.