SCHEMBL2783276

SCHEMBL2783276

N#CC(c1cccc(OC(F)(F)F)c1)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
ACHE P22303 4/20 0.52
L3MBTL1 Q9Y468 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PRKDC P78527 1/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
CASR P41180 1/20 0.40
DYRK1A Q13627 1/20 0.39
CNR2 P34972 1/20 0.38
RPS6KB1 P23443 1/20 0.38
SLC6A2 P23975 3/20 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
SCHEMBL18274512 0.85 ALDH1A1 (0.68) ALDH1A1ACHEL3MBTL1KDM4EHSD17B10
SCHEMBL2781612 0.83 ALDH1A1 (0.72) ALDH1A1ACHEL3MBTL1KDM4EHSD17B10
SCHEMBL9168254 0.82 ACHE (0.64) ALDH1A1ACHEL3MBTL1KDM4EHSD17B10
SCHEMBL11158619 0.81 RPS6KB1 (0.54) ALDH1A1ACHEL3MBTL1KDM4EHSD17B10
SCHEMBL11464268 0.79 ACHE (0.57) ALDH1A1ACHEL3MBTL1KDM4EHSD17B10
SCHEMBL3008947 0.77 ALDH1A1 (0.54) ALDH1A1ACHEL3MBTL1KDM4EHSD17B10
SCHEMBL13266569 0.77 ALDH1A1 (0.56) ALDH1A1ACHEL3MBTL1KDM4EHSD17B10
SCHEMBL11624683 0.76 ACHE (0.59) ALDH1A1ACHEL3MBTL1KDM4EHSD17B10
SCHEMBL2781927 0.76 ACHE (0.57) ALDH1A1ACHEL3MBTL1KDM4EHSD17B10
SCHEMBL11154769 0.76 ALDH1A1 (0.68) ALDH1A1ACHEL3MBTL1KDM4EHSD17B10

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-7795256-B2 Thieno-pyridinone derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2010-09-14 US disclosed
US-20070078131-A1 Thieno-pyridinone derivatives as kinase inhibitors CELLTECH R&D LIMITED (GB) 2007-04-05 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-20070078131-A1 Thieno-pyridinone derivatives as kinase inhibitors MAP3K6, MAP4K2, MAP3K15 ALDH1A1 2586/4885ACHE 3989/4885L3MBTL1 1873/4885

“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.