SCHEMBL17820796

SCHEMBL17820796

CC(CN1CCN(Cc2ccccc2)CC1)Nc1ccc2c(c1)Sc1cccc(-c3cc(N4CCOCC4)cc(=O)[nH]3)c1S2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 13/20 0.46
PIK3C3 Q8NEB9 10/20 0.46
PIK3CA P42336 2/20 0.41
PRKDC P78527 2/20 0.39
PIK3CB P42338 1/20 0.37
MTOR P42345 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ATR Q13535 1/20 0.34

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
SCHEMBL17821066 0.94 ATM (0.48) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17819939 0.94 ATM (0.46) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17819636 0.93 ATM (0.51) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17819969 0.92 ATM (0.43) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17819772 0.91 ATM (0.50) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17821035 0.91 ATM (0.49) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820212 0.91 ATM (0.49) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17907125 0.91 PIK3C3 (0.48) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820036 0.90 ATM (0.46) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17819743 0.90 PIK3C3 (0.48) 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 3047/4885PIK3CA 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.