SCHEMBL2959943

SCHEMBL2959943

COc1cccc(C)c1CCC(=O)Nc1sc2c(c1C#N)CCNC2

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.52
ALDH1A1 P00352 7/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MAPT P10636 4/20 0.49
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.49
RECQL P46063 1/20 0.49
NPC1 O15118 4/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.48
MAPK1 P28482 1/20 0.48
ATM Q13315 1/20 0.48
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RAB9A P51151 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL2968735 0.92 ALDH1A1 (0.47) POLBALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL2971026 0.88 ALDH1A1 (0.51) POLBALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL2969255 0.87 ALDH1A1 (0.51) POLBALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL2896328 0.87 ALDH1A1 (0.51) POLBALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL2957081 0.86 ALDH1A1 (0.59) POLBALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL2969268 0.85 ALDH1A1 (0.50) POLBALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL3419183 0.84 ALDH1A1 (0.49) POLBALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL3419042 0.84 ALDH1A1 (0.51) POLBALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL2961985 0.83 ALDH1A1 (0.52) POLBALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL2965518 0.83 POLB (0.52) POLBALDH1A1SMN1; SMN2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20090098133-A1 Tetrahydropyridothiophenes as Antiproliferative Agents for the Treatment of Cancer ALTANA PHARMA AG (DE) 2009-04-16 US disclosed
US-20080260749-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-10-23 US 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
WO-2006125815-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

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 POLB 2460/4885ALDH1A1 632/4885SMN1; SMN2 3283/4885
US-20090252706-A1 Tetrahydropyridothiophenes As Antripoliferative Agents For The Treatment Of Cancer RAB1A, RAB7A, RAB35 POLB 579/4885ALDH1A1 1497/4885SMN1; SMN2 4845/4885
US-20080260749-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 POLB 2674/4885ALDH1A1 615/4885SMN1; SMN2 3422/4885
US-20090098133-A1 Tetrahydropyridothiophenes as Antiproliferative Agents for the Treatment of Cancer MKI67, BCL2, BAX POLB 1418/4885ALDH1A1 576/4885SMN1; SMN2 2882/4885

“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.