SCHEMBL17820100

SCHEMBL17820100

O=C(Cc1cccnc1)Nc1ccc2c(c1)Sc1cccc(-c3cc(N4CCOCC4)cc(=O)[nH]3)c1S2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.46
ATM Q13315 3/20 0.46
AKT1 P31749 10/20 0.46
PIK3C3 Q8NEB9 2/20 0.45
EPHX2 P34913 1/20 0.44
HTR1A P08908 2/20 0.44
DRD2 P14416 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
PSMB8 P28062 1/20 0.40
NAMPT P43490 1/20 0.40
PIK3CD O00329 4/20 0.39
PIK3CB P42338 4/20 0.39
CYP3A4 P08684 2/20 0.39
PIK3CG P48736 1/20 0.39

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
SCHEMBL17820608 0.88 ATM (0.47) PIK3CAATMPIK3C3NAMPTPIK3CD
SCHEMBL17819871 0.87 ATM (0.46) PIK3CAATMAKT1PIK3C3NAMPT
SCHEMBL17906790 0.86 ATM (0.47) PIK3CAATMAKT1PIK3C3NAMPT
SCHEMBL17819534 0.86 PIK3CA (0.51) PIK3CAATMAKT1PIK3C3PIK3CD
SCHEMBL17820242 0.85 ATM (0.56) PIK3CAATMPIK3C3SMN1; SMN2PIK3CB
SCHEMBL17820815 0.84 ATM (0.54) PIK3CAATMAKT1PIK3C3PIK3CD
SCHEMBL17819675 0.84 ATM (0.43) PIK3CAATMAKT1PIK3C3SMN1; SMN2
SCHEMBL17820648 0.84 ATM (0.51) PIK3CAATMAKT1PIK3C3SMN1; SMN2
SCHEMBL17820386 0.84 ATM (0.53) PIK3CAATMAKT1PIK3C3SMN1; SMN2
SCHEMBL17819685 0.84 ATM (0.62) PIK3CAATMPIK3C3PIK3CB

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 PIK3CA 4857/4885ATM 3209/4885AKT1 1185/4885

“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.