SCHEMBL17820318

SCHEMBL17820318

CC(Nc1ccc2c(c1)Sc1cccc(-c3cc(N4CCOCC4)cc(=O)[nH]3)c1S2)c1ccnc(C#N)n1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 7/20 0.44
PIK3C3 Q8NEB9 5/20 0.44
PRKDC P78527 2/20 0.36
TBK1 Q9UHD2 7/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
IDH1 O75874 1/20 0.33
SOS1 Q07889 1/20 0.32
AKT1 P31749 1/20 0.32

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
SCHEMBL17820152 0.90 PIK3C3 (0.47) ATMPIK3C3PRKDCPIK3CAPIK3CB
SCHEMBL17821067 0.90 PIK3C3 (0.46) ATMPIK3C3PRKDCPIK3CAPIK3CB
SCHEMBL17906742 0.88 ATM (0.52) ATMPIK3C3PRKDCTBK1PIK3CA
SCHEMBL17819805 0.87 ATM (0.47) ATMPIK3C3PRKDCTBK1PIK3CA
SCHEMBL17819581 0.87 PIK3C3 (0.47) ATMPIK3C3PRKDCPIK3CAPIK3CB
SCHEMBL17820481 0.87 PIK3C3 (0.47) ATMPIK3C3PRKDCPIK3CAPIK3CB
SCHEMBL17820649 0.87 PIK3C3 (0.48) ATMPIK3C3PRKDCPIK3CAPIK3CB
SCHEMBL17907214 0.86 ATM (0.46) ATMPIK3C3PRKDCTBK1PIK3CA
SCHEMBL17820478 0.86 PIK3C3 (0.50) ATMPIK3C3PRKDCPIK3CAPIK3CB
SCHEMBL17820870 0.85 ATM (0.47) ATMPIK3C3PRKDCPIK3CAPIK3CB

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 3047/4885PRKDC 2760/4885

“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.