SCHEMBL2962052

SCHEMBL2962052

N#Cc1c(N)sc2c1CCN(C(=O)CCc1ccncc1)C2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.57
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
GAA P10253 5/20 0.56
MAPT P10636 5/20 0.56
ALDH1A1 P00352 4/20 0.56
HPGD P15428 3/20 0.56
ALOX15 P16050 2/20 0.56
HSD17B10 Q99714 2/20 0.56
KDM4E B2RXH2 4/20 0.55
GLA P06280 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
ADORA1 P30542 1/20 0.48
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
PTK2B Q14289 1/20 0.46
ESR2 Q92731 1/20 0.46
GRM1 Q13255 8/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL2955047 0.90 BPTF (0.60) BPTFMEN1KMT2AGAAMAPT
SCHEMBL2968889 0.88 GAA (0.58) BPTFMEN1KMT2AGAAMAPT
SCHEMBL2971978 0.83 GAA (0.56) BPTFMEN1KMT2AGAAMAPT
SCHEMBL3423242 0.81 MEN1 (0.62) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL2969418 0.81 BPTF (0.69) BPTFMEN1KMT2AGAAMAPT
SCHEMBL2954892 0.81 BPTF (0.56) BPTFMEN1KMT2AGAAMAPT
SCHEMBL2962134 0.80 GAA (0.60) BPTFMEN1KMT2AGAAMAPT
SCHEMBL2961940 0.80 BPTF (0.55) BPTFMEN1KMT2AGAAMAPT
SCHEMBL2960241 0.79 BPTF (0.72) BPTFMEN1KMT2AGAAMAPT
SCHEMBL2960407 0.78 BPTF (0.57) BPTFMEN1KMT2AGAAMAPT

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 12 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-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES PEKARI KLAUS 2009-10-15 US disclosed
US-20080260749-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-10-23 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 BPTF 80/4885MEN1 4735/4885KMT2A 2418/4885
US-20080260749-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 BPTF 91/4885MEN1 4691/4885KMT2A 2644/4885
US-20080206258-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 BPTF 91/4885MEN1 4691/4885KMT2A 2644/4885
US-20090258873-A1 Novel tetrahydropyridothiophenes BAX, BCL2, CCAR2 BPTF 80/4885MEN1 4735/4885KMT2A 2418/4885

“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.