SCHEMBL17820947

SCHEMBL17820947

O=C(CN1CCCCC1)Nc1ccc2c(c1)Cc1cccc(-c3cc(N4CCOCC4)cc(=O)[nH]3)c1S2

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 14/20 0.67
PIK3C3 Q8NEB9 7/20 0.62
PIK3CA P42336 2/20 0.55
PRKDC P78527 2/20 0.55
PIK3CB P42338 1/20 0.55
MTOR P42345 1/20 0.55
ATR Q13535 1/20 0.55
MAPK1 P28482 1/20 0.42
PARP1 P09874 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL17819907 0.96 ATM (0.64) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820400 0.93 ATM (0.63) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17819777 0.89 ATM (0.65) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17819570 0.89 ATM (0.70) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17819993 0.87 ATM (0.69) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17819560 0.86 ATM (0.64) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820011 0.86 ATM (0.63) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820259 0.86 ATM (0.53) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820242 0.84 ATM (0.56) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17819498 0.83 ATM (0.64) 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.