SCHEMBL17820202

SCHEMBL17820202

O=c1cc(N2CCOCC2)cc(-c2cccc3c2Sc2ccc(NC4CNC4)cc2S3)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 13/20 0.51
ATM Q13315 7/20 0.51
PRKDC P78527 2/20 0.44
PIK3CA P42336 2/20 0.42
PIK3CB P42338 1/20 0.42
MTOR P42345 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
RPS6KA3 P51812 1/20 0.34
RPS6KA2 Q15349 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL17819551 0.94 PIK3C3 (0.49) PIK3C3ATMPRKDCPIK3CAPIK3CB
SCHEMBL17820181 0.92 ATM (0.48) PIK3C3ATMPRKDCPIK3CAPIK3CB
SCHEMBL17819644 0.92 PIK3C3 (0.50) PIK3C3ATMPRKDCPIK3CAPIK3CB
SCHEMBL17819673 0.91 PIK3C3 (0.51) PIK3C3ATMPRKDCPIK3CAPIK3CB
SCHEMBL18595328 0.89 PIK3C3 (0.48) PIK3C3ATMPRKDCPIK3CAPIK3CB
SCHEMBL16545946 0.89 PIK3C3 (0.48) PIK3C3ATMPRKDCPIK3CAPIK3CB
SCHEMBL17831374 0.89 PIK3C3 (0.48) PIK3C3ATMPRKDCPIK3CAPIK3CB
SCHEMBL17820297 0.89 PIK3C3 (0.49) PIK3C3ATMPRKDCPIK3CAPIK3CB
SCHEMBL17907077 0.89 PIK3C3 (0.49) PIK3C3ATMPRKDCPIK3CAPIK3CB
SCHEMBL17820813 0.88 ATM (0.48) PIK3C3ATMPRKDCPIK3CAPIK3CB

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 PIK3C3 3047/4885ATM 3209/4885PRKDC 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.