SCHEMBL2968889

SCHEMBL2968889

N#Cc1c(N)sc2c1CCN(C(=O)CCc1cccnc1)C2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.58
MAPT P10636 5/20 0.58
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
ALDH1A1 P00352 4/20 0.58
HPGD P15428 3/20 0.58
ALOX15 P16050 2/20 0.58
HSD17B10 Q99714 2/20 0.58
BPTF Q12830 1/20 0.53
KDM4E B2RXH2 4/20 0.52
GLA P06280 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51
ADORA1 P30542 1/20 0.50
GRM1 Q13255 5/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
PTK2B Q14289 1/20 0.43
ESR2 Q92731 1/20 0.43

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
SCHEMBL2962134 0.90 GAA (0.60) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL2962052 0.88 BPTF (0.57) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL3432823 0.83 MEN1 (0.59) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL3423881 0.83 MAPT (0.56) GAAMAPTMEN1KMT2AALDH1A1
Oxalic Acid SCHEMBL3421622 0.82 MEN1 (0.58) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL2971978 0.82 GAA (0.56) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL3421023 0.82 MEN1 (0.55) GAAMAPTMEN1KMT2AGRM1
Malonic Acid SCHEMBL3420861 0.81 MEN1 (0.57) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL3420006 0.81 MEN1 (0.56) GAAMAPTMEN1KMT2AGRM1
SCHEMBL2955047 0.80 BPTF (0.60) GAAMAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763728-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-07-27 US claimed
US-20090258873-A1 Novel tetrahydropyridothiophenes PEKARI KLAUS 2009-10-15 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
US-20080206258-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-08-28 US claimed
US-7763728-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-07-27 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-20080260749-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-10-23 US disclosed
US-20080206258-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-08-28 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
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

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-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES BAX, BCL2, CCAR2 GAA 4360/4885MAPT 1166/4885MEN1 4735/4885
US-20080260749-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 GAA 4321/4885MAPT 1276/4885MEN1 4691/4885
US-20080206258-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 GAA 4321/4885MAPT 1276/4885MEN1 4691/4885
US-20090258873-A1 Novel tetrahydropyridothiophenes BAX, BCL2, CCAR2 GAA 4360/4885MAPT 1166/4885MEN1 4735/4885

“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.