SCHEMBL2969055

SCHEMBL2969055

COc1ccc(C)c(C(C)CC(=O)Nc2sc3c(c2C#N)CCNC3)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
POLB P06746 2/20 0.49
ALDH1A1 P00352 7/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 6/20 0.47
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
TGFBR1 P36897 2/20 0.44
MEN1 O00255 5/20 0.44
TSHR P16473 1/20 0.44
NT5E P21589 1/20 0.43
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
HPGD P15428 2/20 0.42
KDM4E B2RXH2 2/20 0.42

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
SCHEMBL2971754 1.00 MAPT (0.49) MAPTNPC1RAB9APOLBALDH1A1
SCHEMBL2955673 0.92 ALDH1A1 (0.49) MAPTNPC1RAB9APOLBALDH1A1
SCHEMBL2955676 0.92 ALDH1A1 (0.49) MAPTNPC1RAB9APOLBALDH1A1
SCHEMBL2967524 0.91 ALDH1A1 (0.47) MAPTNPC1RAB9APOLBALDH1A1
SCHEMBL2967520 0.91 ALDH1A1 (0.47) MAPTNPC1RAB9APOLBALDH1A1
SCHEMBL3419020 0.90 RAB9A (0.47) MAPTNPC1RAB9APOLBALDH1A1
SCHEMBL3419023 0.90 RAB9A (0.47) MAPTNPC1RAB9APOLBALDH1A1
SCHEMBL2971684 0.90 ALDH1A1 (0.46) MAPTNPC1RAB9APOLBALDH1A1
SCHEMBL2971678 0.90 ALDH1A1 (0.46) MAPTNPC1RAB9APOLBALDH1A1
SCHEMBL3418900 0.86 RAB9A (0.45) MAPTNPC1RAB9APOLBALDH1A1

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 MAPT 1166/4885NPC1 4740/4885RAB9A 1361/4885
US-20090252706-A1 Tetrahydropyridothiophenes As Antripoliferative Agents For The Treatment Of Cancer RAB1A, RAB7A, RAB35 MAPT 3736/4885NPC1 4564/4885RAB9A 19/4885
US-20080260749-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 MAPT 1276/4885NPC1 4618/4885RAB9A 1221/4885
US-20090098133-A1 Tetrahydropyridothiophenes as Antiproliferative Agents for the Treatment of Cancer MKI67, BCL2, BAX MAPT 2223/4885NPC1 4472/4885RAB9A 1629/4885

“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.