SCHEMBL3422967

SCHEMBL3422967

CCOC(=O)N1CCc2c(sc(NC(=O)CCc3cncnc3)c2C#N)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.62
MAPT P10636 4/20 0.55
KDM4E B2RXH2 1/20 0.55
GAA P10253 1/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
ALDH1A1 P00352 3/20 0.55
TSHR P16473 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
NPSR1 Q6W5P4 3/20 0.55
TP53 P04637 2/20 0.55
LMNA P02545 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ADORA3 P0DMS8 1/20 0.49
PDE4D Q08499 1/20 0.49
STAT3 P40763 1/20 0.47
HPGD P15428 2/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL3419993 0.90 L3MBTL1 (0.59) L3MBTL1MAPTKDM4EGAAMEN1
SCHEMBL3423451 0.88 L3MBTL1 (0.67) L3MBTL1MAPTKDM4EGAAMEN1
SCHEMBL3423360 0.88 MEN1 (0.66) L3MBTL1MAPTKDM4EGAAMEN1
SCHEMBL3420618 0.86 L3MBTL1 (0.62) L3MBTL1MAPTKDM4EGAAMEN1
SCHEMBL3420853 0.86 MEN1 (0.67) L3MBTL1MAPTKDM4EGAAMEN1
SCHEMBL3346702 0.85 L3MBTL1 (0.61) L3MBTL1MAPTKDM4EGAAMEN1
SCHEMBL3352048 0.85 L3MBTL1 (0.61) L3MBTL1MAPTKDM4EGAAMEN1
SCHEMBL3350707 0.85 L3MBTL1 (0.61) L3MBTL1MAPTKDM4EGAAMEN1
SCHEMBL3419073 0.85 L3MBTL1 (0.61) L3MBTL1MAPTKDM4EGAAMEN1
SCHEMBL13339344 0.84 ALDH1A1 (0.46) L3MBTL1MAPTGAAMEN1KMT2A

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-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-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-20090227577-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER PEKARI KLAUS 2009-09-10 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

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 2646/4885MAPT 884/4885KDM4E 2213/4885
US-20090227577-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER CCNO, CCNY, CCNT1 L3MBTL1 2293/4885MAPT 3559/4885KDM4E 2118/4885
US-20100324038-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER CCNT1, MALT1, CCNA1 L3MBTL1 1853/4885MAPT 3705/4885KDM4E 2362/4885

“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.