SCHEMBL17819477

SCHEMBL17819477

CCOc1cncc(CNc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 4/20 0.43
PIK3C3 Q8NEB9 3/20 0.43
ALDH1A1 P00352 4/20 0.38
GAA P10253 3/20 0.38
KDM4E B2RXH2 3/20 0.38
CLK1 P49759 1/20 0.38
DYRK1A Q13627 1/20 0.38
AKT1 P31749 1/20 0.35
MAPT P10636 6/20 0.35
TDP1 Q9NUW8 3/20 0.35
ALOX12 P18054 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RECQL P46063 1/20 0.35
MAPK1 P28482 2/20 0.34
MEN1 O00255 1/20 0.34
APP P05067 1/20 0.34
ALOX15 P16050 1/20 0.34
SNCA P37840 1/20 0.34

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
SCHEMBL17820442 0.93 ATM (0.49) ATMPIK3C3KDM4ECLK1DYRK1A
SCHEMBL17820348 0.91 ATM (0.42) ATMPIK3C3ALDH1A1GAAKDM4E
SCHEMBL17906933 0.90 ATM (0.41) ATMPIK3C3KDM4ECLK1DYRK1A
SCHEMBL17820898 0.90 PIK3C3 (0.41) ATMPIK3C3ALDH1A1GAAKDM4E
SCHEMBL17907094 0.90 PIK3C3 (0.42) ATMPIK3C3ALDH1A1GAAKDM4E
SCHEMBL17906768 0.89 ATM (0.44) ATMPIK3C3ALDH1A1GAAKDM4E
SCHEMBL17820051 0.88 PIK3C3 (0.42) ATMPIK3C3ALDH1A1GAAKDM4E
SCHEMBL17820528 0.88 PIK3C3 (0.41) ATMPIK3C3KDM4ECLK1DYRK1A
SCHEMBL17907063 0.88 PIK3C3 (0.41) ATMPIK3C3KDM4ECLK1DYRK1A
SCHEMBL17820024 0.88 PIK3C3 (0.43) ATMPIK3C3KDM4ECLK1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
EP-3042900-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF Fujifilm Corporation (JP) 2016-07-13 EP disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 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-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF PRMT7, RBBP7, RER1 ATM 3209/4885PIK3C3 3047/4885ALDH1A1 2519/4885

“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.