SCHEMBL17820407

SCHEMBL17820407

CNCC(Nc1ccc2c(c1)Sc1cccc(-c3cc(N4CCOCC4)cc(=O)[nH]3)c1S2)c1cc(C)ccn1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 10/20 0.45
PIK3C3 Q8NEB9 8/20 0.45
PIK3CA P42336 3/20 0.38
PRKDC P78527 2/20 0.36
PIK3CB P42338 2/20 0.35
MTOR P42345 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PIK3CD O00329 1/20 0.32
AKT1 P31749 1/20 0.32
PIK3CG P48736 1/20 0.32
WDR5 P61964 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 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
SCHEMBL17820760 0.93 ATM (0.46) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17907011 0.92 ATM (0.46) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820459 0.91 ATM (0.46) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820481 0.90 PIK3C3 (0.47) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820633 0.88 ATM (0.44) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820790 0.88 ATM (0.45) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17828023 0.85 ATM (0.41) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL16545937 0.85 ATM (0.43) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820009 0.84 PIK3C3 (0.44) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17819417 0.84 PIK3C3 (0.44) 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 6 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
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-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.