SCHEMBL17819682

SCHEMBL17819682

O=c1cc(N2CCOCC2)cc(-c2cccc3c2Oc2ccc(NC4CN(CCc5ccccc5)CCN4)cc2S3)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 12/20 0.39
ATM Q13315 14/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
PRKDC P78527 2/20 0.35
MTOR P42345 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATR Q13535 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
SCHEMBL17820154 0.90 PIK3C3 (0.41) PIK3C3ATMALDH1A1MAPTGAA
SCHEMBL17828212 0.89 PIK3C3 (0.40) PIK3C3ATMALDH1A1MAPTGAA
SCHEMBL17819826 0.88 PIK3C3 (0.41) PIK3C3ATMALDH1A1MAPTGAA
SCHEMBL17820629 0.85 PIK3C3 (0.39) PIK3C3ATMALDH1A1MAPTGAA
SCHEMBL17820826 0.80 PIK3C3 (0.44) PIK3C3ATMPRKDC
SCHEMBL17819991 0.79 PIK3C3 (0.45) PIK3C3ATMALDH1A1GAAPRKDC
SCHEMBL17820560 0.79 PIK3C3 (0.45) PIK3C3ATMALDH1A1PRKDCMEN1
SCHEMBL17820251 0.79 ATM (0.44) PIK3C3ATMALDH1A1MAPTGAA
SCHEMBL17820764 0.78 PIK3C3 (0.43) PIK3C3ATMPRKDC
SCHEMBL17828209 0.78 PIK3C3 (0.49) PIK3C3ATMALDH1A1PRKDCMTOR

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 2 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-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 3209/4885ALDH1A1 2519/4885

“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.