SCHEMBL17819962

SCHEMBL17819962

CC(Nc1ccc2c(c1)Sc1cccc(-c3cc(N4CCOCC4)cc(=O)[nH]3)c1S2)c1nccs1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 9/20 0.48
ATM Q13315 7/20 0.48
PIK3CA P42336 3/20 0.40
PRKDC P78527 3/20 0.39
PIK3CB P42338 2/20 0.37
MTOR P42345 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
IDH1 O75874 1/20 0.32
PIK3CD O00329 1/20 0.32
CYP3A4 P08684 1/20 0.32
PIK3CG P48736 1/20 0.32
AKT1 P31749 1/20 0.32
KCNH2 Q12809 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL17820478 0.89 PIK3C3 (0.50) PIK3C3ATMPIK3CAPRKDCPIK3CB
SCHEMBL17821067 0.86 PIK3C3 (0.46) PIK3C3ATMPIK3CAPRKDCPIK3CB
SCHEMBL17820870 0.86 ATM (0.47) PIK3C3ATMPIK3CAPRKDCPIK3CB
SCHEMBL17820481 0.86 PIK3C3 (0.47) PIK3C3ATMPIK3CAPRKDCPIK3CB
SCHEMBL17819581 0.86 PIK3C3 (0.47) PIK3C3ATMPIK3CAPRKDCPIK3CB
SCHEMBL17820404 0.86 PIK3C3 (0.48) PIK3C3ATMPIK3CAPRKDCPIK3CB
SCHEMBL17820925 0.85 PIK3C3 (0.47) PIK3C3ATMPIK3CAPRKDCPIK3CB
SCHEMBL17820152 0.85 PIK3C3 (0.47) PIK3C3ATMPIK3CAPRKDCPIK3CB
SCHEMBL17819457 0.85 PIK3C3 (0.48) PIK3C3ATMPIK3CAPRKDCPIK3CB
SCHEMBL17819748 0.85 PIK3C3 (0.47) PIK3C3ATMPIK3CAPRKDCPIK3CB

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 PIK3C3 3047/4885ATM 3209/4885PIK3CA 4857/4885

“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.