SCHEMBL17820252

SCHEMBL17820252

COCCN1CCC(Nc2ccc3c(c2)Sc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2S3)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 12/20 0.50
PIK3C3 Q8NEB9 6/20 0.50
PIK3CA P42336 2/20 0.43
PRKDC P78527 2/20 0.38
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
BRD4 O60885 2/20 0.35
ATAD2 Q6PL18 1/20 0.35
FGFR1 P11362 1/20 0.35
PDGFRA P16234 1/20 0.35
FLT1 P17948 1/20 0.35
KDR P35968 1/20 0.35
VCP P55072 1/20 0.34
H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 P62805 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
SCHEMBL17819690 0.92 ATM (0.48) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17828054 0.90 PIK3C3 (0.49) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17819643 0.90 PIK3C3 (0.47) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17819892 0.89 ATM (0.54) ATMPIK3C3PIK3CAPRKDC
SCHEMBL17820824 0.87 ATM (0.49) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17819681 0.87 PIK3C3 (0.47) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820210 0.87 PIK3C3 (0.46) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820611 0.87 PIK3C3 (0.50) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17819673 0.86 PIK3C3 (0.51) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17907077 0.86 PIK3C3 (0.49) 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.