SCHEMBL2964439

SCHEMBL2964439

COc1cccc([C@@H](C)CC(=O)Nc2sc3c(c2C#N)CCNC3)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.49
NPC1 O15118 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 7/20 0.45
MAPT P10636 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.45
RECQL P46063 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.41
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
RAB9A P51151 1/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL2964436 1.00 POLB (0.49) POLBNPC1MEN1KMT2AALDH1A1
SCHEMBL2891412 0.92 MEN1 (0.52) POLBNPC1MEN1KMT2AALDH1A1
SCHEMBL2891410 0.92 MEN1 (0.52) POLBNPC1MEN1KMT2AALDH1A1
SCHEMBL2969166 0.91 POLB (0.50) POLBNPC1MEN1KMT2AALDH1A1
SCHEMBL2969169 0.91 POLB (0.50) POLBNPC1MEN1KMT2AALDH1A1
SCHEMBL2957203 0.91 ALDH1A1 (0.51) POLBNPC1MEN1KMT2AALDH1A1
SCHEMBL2957200 0.91 ALDH1A1 (0.51) POLBNPC1MEN1KMT2AALDH1A1
SCHEMBL3423000 0.89 RAB9A (0.43) POLBNPC1MEN1KMT2AALDH1A1
SCHEMBL3423006 0.89 RAB9A (0.43) POLBNPC1MEN1KMT2AALDH1A1
SCHEMBL2968668 0.89 POLB (0.48) POLBNPC1MEN1KMT2AALDH1A1

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 9 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-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 (3 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-20090252706-A1 Tetrahydropyridothiophenes As Antripoliferative Agents For The Treatment Of Cancer RAB1A, RAB7A, RAB35 POLB 579/4885NPC1 4564/4885MEN1 3675/4885
US-20080260749-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 POLB 2674/4885NPC1 4618/4885MEN1 4691/4885
US-20090098133-A1 Tetrahydropyridothiophenes as Antiproliferative Agents for the Treatment of Cancer MKI67, BCL2, BAX POLB 1418/4885NPC1 4472/4885MEN1 3685/4885

“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.