SCHEMBL17819908

SCHEMBL17819908

COc1ccc(CNc2ccc3c(c2)Sc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2S3)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 7/20 0.51
PIK3C3 Q8NEB9 5/20 0.51
RAB9A P51151 2/20 0.39
PIK3CA P42336 4/20 0.38
CLK1 P49759 1/20 0.38
DYRK1A Q13627 1/20 0.38
PRKDC P78527 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NTRK1 P04629 1/20 0.36
CSF1R P07333 1/20 0.36
NTRK2 Q16620 1/20 0.36
PIK3CB P42338 2/20 0.36
MTOR P42345 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
PTK2 Q05397 1/20 0.35
GAA P10253 3/20 0.35
MAPT P10636 2/20 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 0.91 ATM (0.52) ATMPIK3C3RAB9APIK3CACLK1
SCHEMBL17819818 0.91 ATM (0.48) ATMPIK3C3RAB9APIK3CACLK1
SCHEMBL17906849 0.90 ATM (0.51) ATMPIK3C3RAB9APIK3CACLK1
SCHEMBL17907148 0.89 ATM (0.47) ATMPIK3C3RAB9APIK3CACLK1
SCHEMBL17907014 0.89 ATM (0.46) ATMPIK3C3RAB9APIK3CACLK1
SCHEMBL17906839 0.89 ATM (0.65) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17907222 0.88 ATM (0.48) ATMPIK3C3RAB9APIK3CAPRKDC
SCHEMBL17907109 0.88 PIK3C3 (0.43) ATMPIK3C3RAB9APIK3CACLK1
SCHEMBL17819450 0.87 ATM (0.55) ATMPIK3C3RAB9APIK3CACLK1
SCHEMBL17820608 0.86 ATM (0.47) ATMPIK3C3PIK3CACLK1DYRK1A

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 3047/4885RAB9A 757/4885

“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.