SCHEMBL17820608

SCHEMBL17820608

O=c1cc(N2CCOCC2)cc(-c2cccc3c2Sc2ccc(NCc4cccnc4)cc2S3)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 4/20 0.47
PIK3C3 Q8NEB9 2/20 0.47
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NAMPT P43490 3/20 0.40
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
PRKDC P78527 2/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
PIK3CA P42336 4/20 0.39
MAPK1 P28482 1/20 0.39
NTRK1 P04629 1/20 0.39
CSNK1D P48730 1/20 0.39
PIK3CB P42338 3/20 0.38

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
SCHEMBL17906692 0.93 ATM (0.44) ATMPIK3C3CYP1A2CYP3A4CYP2D6
SCHEMBL17819871 0.93 ATM (0.46) ATMPIK3C3CYP1A2CYP3A4CYP2D6
SCHEMBL17906790 0.91 ATM (0.47) ATMPIK3C3CYP1A2CYP3A4CYP2D6
SCHEMBL17819818 0.90 ATM (0.48) ATMPIK3C3NAMPTCLK1DYRK1A
SCHEMBL17820130 0.89 ATM (0.46) ATMPIK3C3CLK1DYRK1APRKDC
SCHEMBL17820100 0.88 PIK3CA (0.46) ATMPIK3C3CYP3A4NAMPTPIK3CA
SCHEMBL17907014 0.88 ATM (0.46) ATMPIK3C3CLK1DYRK1APRKDC
SCHEMBL17819501 0.88 ATM (0.61) ATMPIK3C3CYP1A2CYP3A4CYP2D6
SCHEMBL17906775 0.88 ATM (0.43) ATMPIK3C3CYP1A2CYP3A4CYP2D6
SCHEMBL17820492 0.88 ATM (0.48) ATMPIK3C3CYP3A4CLK1DYRK1A

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 3047/4885CYP1A2 2094/4885

“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.