SCHEMBL3417591

SCHEMBL3417591

Cc1nccn1CCOC(=O)N1CCc2c(sc(NC(=O)C[C@H](C)c3cccnc3)c2C#N)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 7/20 0.44
KMT2A Q03164 7/20 0.44
MAPT P10636 6/20 0.44
ALDH1A1 P00352 5/20 0.44
LMNA P02545 3/20 0.44
HSD17B10 Q99714 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
STAT3 P40763 5/20 0.43
KDM4E B2RXH2 3/20 0.40
GAA P10253 3/20 0.39
GRM1 Q13255 1/20 0.39
HPGD P15428 2/20 0.39
ALOX12 P18054 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
ALOX15 P16050 1/20 0.38

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
SCHEMBL3417588 1.00 L3MBTL1 (0.46) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL4166304 0.93 MEN1 (0.49) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL4166310 0.93 MEN1 (0.49) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL3423320 0.91 L3MBTL1 (0.46) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL3423326 0.91 L3MBTL1 (0.46) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL3349094 0.89 MEN1 (0.51) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL3349102 0.89 MEN1 (0.51) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL3421626 0.89 L3MBTL1 (0.57) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL3421629 0.89 L3MBTL1 (0.57) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL3350189 0.89 L3MBTL1 (0.47) L3MBTL1MEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324038-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER PEKARI KLAUS 2010-12-23 US claimed
US-20090227577-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER PEKARI KLAUS 2009-09-10 US claimed
US-20080096914-A1 Tetrahydropyridothiophenes for the Treatment of Proliferative Diseases Such as Cancer ALTANA PHARMA AG (DE) 2008-04-24 US claimed
EP-1851229-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER Nycomed GmbH (DE) 2007-11-07 EP claimed
WO-2006084869-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER NYCOMED GMBH (DE) 2006-08-17 WO claimed
US-20100324038-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER PEKARI KLAUS 2010-12-23 US disclosed
US-7714135-B2 Tetrahydropyridothiophenes for the treatment of proliferative diseases such as cancer 4SC AG (DE) 2010-05-11 US disclosed
US-20090227577-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER PEKARI KLAUS 2009-09-10 US disclosed
US-20080096914-A1 Tetrahydropyridothiophenes for the Treatment of Proliferative Diseases Such as Cancer ALTANA PHARMA AG (DE) 2008-04-24 US disclosed
EP-1851229-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER Nycomed GmbH (DE) 2007-11-07 EP disclosed
WO-2006084869-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS 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-20080096914-A1 Tetrahydropyridothiophenes for the Treatment of Proliferative Diseases Such as Cancer MKI67, CCNT1, RB1 L3MBTL1 2646/4885MEN1 2714/4885KMT2A 1982/4885
US-20090227577-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER CCNO, CCNY, CCNT1 L3MBTL1 2293/4885MEN1 3314/4885KMT2A 779/4885
US-20100324038-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER CCNT1, MALT1, CCNA1 L3MBTL1 1853/4885MEN1 2581/4885KMT2A 660/4885

“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.