SCHEMBL17819586

SCHEMBL17819586

CC(Nc1ccc2c(c1)Sc1cccc(-c3cc(N4CCOCC4)cc(=O)[nH]3)c1S2)c1ncc(CN2CCCC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 10/20 0.44
PIK3C3 Q8NEB9 6/20 0.44
PIK3CA P42336 7/20 0.39
PRKDC P78527 2/20 0.36
PIK3CB P42338 6/20 0.34
MTOR P42345 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PIK3CD O00329 6/20 0.34
PIK3R1 P27986 5/20 0.34
PIK3CG P48736 4/20 0.34
NRP1 O14786 1/20 0.31
ATR Q13535 1/20 0.31

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
SCHEMBL17819484 0.97 ATM (0.46) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17819958 0.91 ATM (0.46) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820404 0.90 PIK3C3 (0.48) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820478 0.89 PIK3C3 (0.50) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17819453 0.86 ATM (0.44) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17821107 0.86 ATM (0.44) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17821035 0.85 ATM (0.49) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17819457 0.85 PIK3C3 (0.48) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17819966 0.84 ATM (0.49) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820870 0.84 ATM (0.47) ATMPIK3C3PIK3CAPRKDCPIK3CB

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 3047/4885PIK3CA 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.