SCHEMBL17819498

SCHEMBL17819498

O=C(Nc1ccc2c(c1)Cc1cccc(-c3cc(N4CCOCC4)cc(=O)[nH]3)c1S2)c1ccncc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 12/20 0.64
PIK3C3 Q8NEB9 7/20 0.64
MAPT P10636 1/20 0.49
PIK3CA P42336 4/20 0.46
PRKDC P78527 2/20 0.46
PIK3CB P42338 1/20 0.46
MTOR P42345 1/20 0.46
ATR Q13535 1/20 0.46
HTT P42858 1/20 0.45
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK14 Q16539 1/20 0.42
PIK3CD O00329 1/20 0.41
BRD4 O60885 1/20 0.41
PIK3CG P48736 1/20 0.41

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
SCHEMBL17819914 0.89 ATM (0.61) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17819777 0.86 ATM (0.65) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17819907 0.85 ATM (0.64) ATMPIK3C3MAPTPIK3CAPRKDC
SCHEMBL17906931 0.85 ATM (0.64) ATMPIK3C3MAPTPIK3CAPRKDC
SCHEMBL17819648 0.84 ATM (0.75) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17819993 0.84 ATM (0.69) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820947 0.83 ATM (0.67) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820400 0.83 ATM (0.63) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820011 0.83 ATM (0.63) ATMPIK3C3MAPTPIK3CAPRKDC
SCHEMBL17820607 0.82 ATM (0.74) 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 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 3047/4885MAPT 3669/4885

“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.