SCHEMBL17820443

SCHEMBL17820443

N#Cc1cncc(CNc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 2/20 0.40
ATM Q13315 1/20 0.40
LRRK2 Q5S007 2/20 0.36
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
ALOX12 P18054 1/20 0.35
AKT1 P31749 2/20 0.34
PIK3CA P42336 4/20 0.33
PIK3CB P42338 3/20 0.33
TBK1 Q9UHD2 1/20 0.33
MTOR P42345 1/20 0.32
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
CLK1 P49759 2/20 0.32
DYRK1A Q13627 2/20 0.32
ENPP2 Q13822 1/20 0.32
HDAC4 P56524 1/20 0.32
MEF2D Q14814 1/20 0.32
PDCD1 Q15116 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
SCHEMBL17819638 0.91 PIK3C3 (0.42) PIK3C3ATMLRRK2HTTAKT1
SCHEMBL17820528 0.90 PIK3C3 (0.41) PIK3C3ATMHTTKDM4EMAPT
SCHEMBL17907063 0.90 PIK3C3 (0.41) PIK3C3ATMHTTKDM4EMAPT
SCHEMBL17907094 0.90 PIK3C3 (0.42) PIK3C3ATMLRRK2HTTKDM4E
SCHEMBL17820024 0.90 PIK3C3 (0.43) PIK3C3ATMHTTKDM4EMAPT
SCHEMBL17820898 0.89 PIK3C3 (0.41) PIK3C3ATMHTTKDM4EMAPT
SCHEMBL17906668 0.89 PIK3C3 (0.40) PIK3C3ATMHTTKDM4EMAPT
SCHEMBL17819505 0.89 PIK3C3 (0.40) PIK3C3ATMHTTKDM4EMAPT
SCHEMBL17907021 0.88 CYP1A2 (0.42) PIK3C3ATMHTTKDM4EMAPT
SCHEMBL17820005 0.88 KDM4E (0.48) PIK3C3ATMHTTKDM4EMAPT

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 2 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-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 PIK3C3 3047/4885ATM 3209/4885LRRK2 746/4885

“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.