SCHEMBL17819729

SCHEMBL17819729

O=c1cc(N2CCOCC2)cc(-c2cccc3c2Sc2ccc(NCc4cc(Cl)ccn4)cc2S3)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 8/20 0.46
PIK3C3 Q8NEB9 6/20 0.46
PRKDC P78527 2/20 0.39
PIK3CA P42336 7/20 0.38
PIK3CB P42338 6/20 0.37
MTOR P42345 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PIK3CD O00329 1/20 0.34
CYP3A4 P08684 1/20 0.34
AKT1 P31749 1/20 0.34
STAT6 P42226 1/20 0.34
RPS6KA3 P51812 1/20 0.33
RPS6KA2 Q15349 1/20 0.33

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
SCHEMBL17820249 0.91 ATM (0.48) ATMPIK3C3PRKDCPIK3CAPIK3CB
SCHEMBL17907145 0.90 ATM (0.45) ATMPIK3C3PRKDCPIK3CAPIK3CB
SCHEMBL17906856 0.89 PIK3C3 (0.46) ATMPIK3C3PRKDCPIK3CAPIK3CB
SCHEMBL17906932 0.89 ATM (0.57) ATMPIK3C3PRKDCPIK3CAPIK3CB
SCHEMBL17820130 0.89 ATM (0.46) ATMPIK3C3PRKDCPIK3CAPIK3CB
SCHEMBL17821092 0.89 ATM (0.46) ATMPIK3C3PRKDCPIK3CAPIK3CB
SCHEMBL17820371 0.88 ATM (0.48) ATMPIK3C3PRKDCPIK3CAPIK3CB
SCHEMBL17820228 0.88 ATM (0.47) ATMPIK3C3PRKDCPIK3CAPIK3CB
SCHEMBL17907083 0.87 PIK3C3 (0.44) ATMPIK3C3PRKDCPIK3CAPIK3CB
SCHEMBL17820678 0.87 ATM (0.47) ATMPIK3C3PRKDCPIK3CAPIK3CB

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 3047/4885PRKDC 2760/4885

“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.