SCHEMBL17820386

SCHEMBL17820386

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

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 7/20 0.53
PIK3CA P42336 4/20 0.53
PIK3C3 Q8NEB9 3/20 0.50
PRKDC P78527 3/20 0.43
MAPT P10636 7/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
PIK3CB P42338 3/20 0.39
MTOR P42345 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
AKT1 P31749 2/20 0.39
PIK3CD O00329 1/20 0.39
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.39
ATR Q13535 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP2 O75604 1/20 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
SCHEMBL17820815 0.96 ATM (0.54) ATMPIK3CAPIK3C3PRKDCMAPT
SCHEMBL17820119 0.92 ATM (0.57) ATMPIK3CAPIK3C3PRKDCMAPT
SCHEMBL17819685 0.91 ATM (0.62) ATMPIK3CAPIK3C3PRKDCALDH1A1
SCHEMBL17819534 0.90 PIK3CA (0.51) ATMPIK3CAPIK3C3PRKDCALDH1A1
SCHEMBL17820242 0.89 ATM (0.56) ATMPIK3CAPIK3C3PRKDCMAPT
SCHEMBL17820259 0.88 ATM (0.53) ATMPIK3CAPIK3C3PRKDCMAPT
SCHEMBL17820648 0.88 ATM (0.51) ATMPIK3CAPIK3C3PRKDCMAPT
SCHEMBL17820340 0.86 ATM (0.52) ATMPIK3CAPIK3C3PRKDCMAPT
SCHEMBL17820511 0.86 ATM (0.52) ATMPIK3CAPIK3C3PRKDCMAPT
SCHEMBL17819696 0.85 ATM (0.49) ATMPIK3CAPIK3C3PRKDCALDH1A1

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 6 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
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-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 3209/4885PIK3CA 4857/4885PIK3C3 3047/4885

“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.