SCHEMBL3421133

SCHEMBL3421133

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BPTF Q12830 3/20 1.00
▸ MAPT P10636 11/20 0.71
▸ GAA P10253 6/20 0.71
▸ KDM4E B2RXH2 6/20 0.71
▸ MEN1 O00255 10/20 0.59
▸ KMT2A Q03164 10/20 0.59
▸ ALDH1A1 P00352 10/20 0.59
▸ HPGD P15428 4/20 0.59
▸ HSD17B10 Q99714 4/20 0.59
▸ SMN1; SMN2 Q16637 4/20 0.59
▸ ALOX15 P16050 3/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ CASP1 P29466 1/20 0.59
▸ CASP7 P55210 1/20 0.59
▸ PTK2B Q14289 1/20 0.59
▸ ESR2 Q92731 1/20 0.59
▸ LMNA P02545 2/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ ADORA1 P30542 1/20 0.49

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
SCHEMBL4035961 0.87 BPTF (0.78) BPTFMAPTGAAKDM4EMEN1
SCHEMBL13366491 0.84 BPTF (0.72) BPTFMAPTGAAKDM4EMEN1
SCHEMBL2960241 0.84 BPTF (0.72) BPTFMAPTGAAKDM4EMEN1
SCHEMBL3347382 0.83 MAPT (1.00) BPTFMAPTGAAKDM4EMEN1
SCHEMBL2643671 0.82 MAPT (0.73) BPTFMAPTGAAKDM4EMEN1
SCHEMBL2960524 0.82 BPTF (0.70) BPTFMAPTGAAKDM4EMEN1
SCHEMBL2969418 0.82 BPTF (0.69) BPTFMAPTGAAKDM4EMEN1
SCHEMBL2963988 0.80 MAPT (0.67) BPTFMAPTGAAKDM4EMEN1
SCHEMBL7718443 0.78 MAPT (0.67) BPTFMAPTGAAKDM4EMEN1
SCHEMBL10856568 0.77 ADORA1 (0.69) BPTFMAPTGAAKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714134-B2 Compounds and use of tetrahydropyridothiophenes 4SC AG (DE) 2010-05-11 — — US disclosed
US-7714134-B2 Compounds and use of tetrahydropyridothiophenes 4SC AG (DE) 2010-05-11 — — US disclosed
US-7714134-B2 Compounds and use of tetrahydropyridothiophenes 4SC AG (DE) 2010-05-11 — — US disclosed
US-20090209534-A1 NOVEL COMPOUNDS AND USE OF TETRAHYDROPYRIDOPYRIDOTHIOPHENES PEKARI KLAUS 2009-08-20 — — US disclosed
US-20090209534-A1 NOVEL COMPOUNDS AND USE OF TETRAHYDROPYRIDOPYRIDOTHIOPHENES PEKARI KLAUS 2009-08-20 — — US disclosed
US-20090209534-A1 NOVEL COMPOUNDS AND USE OF TETRAHYDROPYRIDOPYRIDOTHIOPHENES PEKARI KLAUS 2009-08-20 — — US disclosed
US-20090163538-A1 Tetrahydropyridothiophenes For Use In The Treatment Of Cancer PEKARI KLAUS 2009-06-25 — — US disclosed
US-20090163538-A1 Tetrahydropyridothiophenes For Use In The Treatment Of Cancer PEKARI KLAUS 2009-06-25 — — US disclosed
US-20090163538-A1 Tetrahydropyridothiophenes For Use In The Treatment Of Cancer PEKARI KLAUS 2009-06-25 — — US disclosed
US-7517986-B2 Tetrahydropyridothiophenes for use in the treatment of cancer 4SC AG (DE) 2009-04-14 — — US disclosed
US-20070259911-A1 Novel Compounds and Use of Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2007-11-08 — — US disclosed
US-20070259911-A1 Novel Compounds and Use of Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2007-11-08 — — 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
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
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-1993013104-A1 C.N.S. ACTIVE TRICYCLIC THIENOPYRIDINE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1993-07-08 — — 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 (4 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-20090209534-A1 NOVEL COMPOUNDS AND USE OF TETRAHYDROPYRIDOPYRIDOTHIOPHENES RB1, MCL1, CCAR2 BPTF 142/4885MAPT 1694/4885GAA 4350/4885
US-20090163538-A1 Tetrahydropyridothiophenes For Use In The Treatment Of Cancer BCL2, BAX, MCL1 BPTF 424/4885MAPT 1411/4885GAA 3779/4885
US-20070213360-A1 Tetrahydropyridothiophenes for Use in the Treatment of Cancer BCL2, BAX, MCL1 BPTF 529/4885MAPT 1402/4885GAA 3762/4885
US-20070259911-A1 Novel Compounds and Use of Tetrahydropyridothiophenes RB1, BAX, BCL2 BPTF 137/4885MAPT 2055/4885GAA 4072/4885

“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.

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