SCHEMBL17820321

SCHEMBL17820321

CCC(CBr)Nc1ccc2c(c1)Sc1cccc(-c3cc(N4CCOCC4)cc(=O)[nH]3)c1S2

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 10/20 0.50
PIK3C3 Q8NEB9 10/20 0.50
PRKDC P78527 2/20 0.43
PIK3CA P42336 2/20 0.41
PIK3CB P42338 1/20 0.39
MTOR P42345 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
RPS6KA3 P51812 1/20 0.33
RPS6KA2 Q15349 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL22450960 0.92 PIK3C3 (0.50) ATMPIK3C3PRKDCPIK3CAPIK3CB
SCHEMBL17828065 0.92 ATM (0.50) ATMPIK3C3PRKDCPIK3CAPIK3CB
SCHEMBL17819731 0.92 PIK3C3 (0.49) ATMPIK3C3PRKDCPIK3CAPIK3CB
SCHEMBL17828019 0.91 ATM (0.53) ATMPIK3C3PRKDCPIK3CAPIK3CB
SCHEMBL17828012 0.91 PIK3C3 (0.51) ATMPIK3C3PRKDCPIK3CAPIK3CB
SCHEMBL17819468 0.89 ATM (0.47) ATMPIK3C3PRKDCPIK3CAPIK3CB
SCHEMBL17819707 0.89 ATM (0.51) ATMPIK3C3PRKDCPIK3CAPIK3CB
SCHEMBL17820205 0.89 ATM (0.51) ATMPIK3C3PRKDCPIK3CAPIK3CB
SCHEMBL17819649 0.88 PIK3C3 (0.51) ATMPIK3C3PRKDCPIK3CAPIK3CB
SCHEMBL17828218 0.88 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 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 3047/4885PRKDC 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.