SCHEMBL17820898

SCHEMBL17820898

CCNc1cncc(CNc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 6/20 0.41
ATM Q13315 3/20 0.41
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALOX12 P18054 2/20 0.35
HTT P42858 2/20 0.35
CLK1 P49759 2/20 0.35
DYRK1A Q13627 2/20 0.35
PIK3CA P42336 3/20 0.33
PIK3CB P42338 3/20 0.33
JAK2 O60674 2/20 0.32
JAK3 P52333 2/20 0.32
JAK1 P23458 1/20 0.32
GAA P10253 3/20 0.32
ALDH1A1 P00352 2/20 0.32
ALOX15 P16050 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HDAC4 P56524 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
SCHEMBL17906920 0.92 ATM (0.40) PIK3C3ATMMAPTKDM4EALOX12
SCHEMBL17907094 0.91 PIK3C3 (0.42) PIK3C3ATMMAPTKDM4EALOX12
SCHEMBL17819584 0.91 PIK3C3 (0.40) PIK3C3ATMMAPTKDM4EALOX12
SCHEMBL17907063 0.90 PIK3C3 (0.41) PIK3C3ATMMAPTKDM4EALOX12
SCHEMBL17820528 0.90 PIK3C3 (0.41) PIK3C3ATMMAPTKDM4EALOX12
SCHEMBL17820024 0.90 PIK3C3 (0.43) PIK3C3ATMMAPTKDM4EALOX12
SCHEMBL17819477 0.90 ATM (0.43) PIK3C3ATMMAPTKDM4EALOX12
SCHEMBL17906768 0.90 ATM (0.44) PIK3C3ATMMAPTKDM4EALOX12
SCHEMBL17820442 0.90 ATM (0.49) PIK3C3ATMMAPTKDM4EALOX12
SCHEMBL17906806 0.90 PIK3C3 (0.41) PIK3C3ATMMAPTKDM4EALOX12

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 PIK3C3 3047/4885ATM 3209/4885MAPT 3669/4885

“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.