SCHEMBL17819450

SCHEMBL17819450

COc1cncc(CNc2ccc3c(c2)Sc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2S3)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 11/20 0.55
PIK3C3 Q8NEB9 5/20 0.55
CLK1 P49759 1/20 0.44
DYRK1A Q13627 1/20 0.44
RAB9A P51151 1/20 0.41
PIK3CA P42336 3/20 0.38
PRKDC P78527 2/20 0.37
STAT6 P42226 1/20 0.37
PIK3CB P42338 2/20 0.36
PIK3CD O00329 1/20 0.36
MTOR P42345 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL17906628 0.89 ATM (0.52) ATMPIK3C3CLK1DYRK1ARAB9A
SCHEMBL17820608 0.88 ATM (0.47) ATMPIK3C3CLK1DYRK1APIK3CA
SCHEMBL17821069 0.88 ATM (0.47) ATMPIK3C3CLK1DYRK1ARAB9A
SCHEMBL17907226 0.87 ATM (0.57) ATMPIK3C3CLK1DYRK1ARAB9A
SCHEMBL17819908 0.87 ATM (0.51) ATMPIK3C3CLK1DYRK1ARAB9A
SCHEMBL17821111 0.87 ATM (0.50) ATMPIK3C3CLK1DYRK1APIK3CA
SCHEMBL17906692 0.87 ATM (0.44) ATMPIK3C3CLK1DYRK1APIK3CA
SCHEMBL17906775 0.86 ATM (0.43) ATMPIK3C3CLK1DYRK1APIK3CA
SCHEMBL17906932 0.86 ATM (0.57) ATMPIK3C3CLK1DYRK1ARAB9A
SCHEMBL17906849 0.86 ATM (0.51) ATMPIK3C3CLK1DYRK1ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3042900-B1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2020-09-23 EP disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
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
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US 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 3047/4885CLK1 3430/4885

“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.