SCHEMBL13367199

SCHEMBL13367199

CCOC(=O)N1CCc2c(sc(NC(=O)CCc3cccnc3)c2N)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.54
ADORA3 P0DMS8 1/20 0.54
POLB P06746 1/20 0.51
ALDH1A1 P00352 7/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
NPSR1 Q6W5P4 6/20 0.47
HPGD P15428 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
ALOX12 P18054 1/20 0.47
CASP1 P29466 1/20 0.47
MAPK1 P28482 1/20 0.47
MAPT P10636 5/20 0.46
TSHR P16473 2/20 0.46
ALOX15 P16050 2/20 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
SCHEMBL13038525 0.89 PDE4D (0.64) PDE4DADORA3POLBALDH1A1KMT2A
SCHEMBL3419993 0.88 L3MBTL1 (0.59) PDE4DADORA3POLBALDH1A1KMT2A
SCHEMBL13676733 0.86 ALDH1A1 (0.49) PDE4DADORA3ALDH1A1KMT2AMEN1
SCHEMBL13367203 0.86 PDE4D (0.56) PDE4DADORA3POLBALDH1A1KMT2A
SCHEMBL13037503 0.85 PDE4D (0.56) PDE4DADORA3POLBALDH1A1KMT2A
SCHEMBL13367204 0.84 PDE4D (0.53) PDE4DADORA3POLBALDH1A1KMT2A
SCHEMBL13037510 0.84 PDE4D (0.55) PDE4DADORA3POLBALDH1A1KMT2A
SCHEMBL13334882 0.84 MAPT (0.54) PDE4DADORA3POLBALDH1A1KMT2A
SCHEMBL13334961 0.83 MAPT (0.53) PDE4DADORA3POLBALDH1A1KMT2A
SCHEMBL13265490 0.83 PTGDR2 (0.46) PDE4DADORA3ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714135-B2 Tetrahydropyridothiophenes for the treatment of proliferative diseases such as cancer 4SC AG (DE) 2010-05-11 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 (1 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 PDE4D 4518/4885ADORA3 4355/4885POLB 1116/4885

“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.