SCHEMBL17821111

SCHEMBL17821111

COc1cncc(CN2CCC(Nc3ccc4c(c3)Sc3cccc(-c5cc(N6CCOCC6)cc(=O)[nH]5)c3S4)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATM Q13315 10/20 0.50
PIK3C3 Q8NEB9 5/20 0.50
PIK3CA P42336 1/20 0.37
ACKR3 P25106 2/20 0.35
CLK1 P49759 1/20 0.35
DYRK1A Q13627 1/20 0.35
PARP14 Q460N5 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 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
SCHEMBL17820572 0.89 ATM (0.43) ATMPIK3C3PIK3CAPARP14
SCHEMBL17819472 0.88 ATM (0.46) ATMPIK3C3PIK3CAPARP14
SCHEMBL17821126 0.87 ATM (0.46) ATMPIK3C3PIK3CA
SCHEMBL17819450 0.87 ATM (0.55) ATMPIK3C3PIK3CACLK1DYRK1A
SCHEMBL17819892 0.86 ATM (0.54) ATMPIK3C3PIK3CA
SCHEMBL17819940 0.85 ATM (0.42) ATMPIK3C3PIK3CA
SCHEMBL17828054 0.85 PIK3C3 (0.49) ATMPIK3C3PIK3CA
SCHEMBL17820252 0.85 ATM (0.50) ATMPIK3C3PIK3CA
SCHEMBL17906787 0.83 ATM (0.45) ATMPIK3C3PIK3CA
SCHEMBL17819675 0.83 ATM (0.43) ATMPIK3C3PIK3CA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3042900-B1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2020-09-23 EP 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-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
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.