SCHEMBL17820182

SCHEMBL17820182

O=c1cc(N2CCOCC2)cc(-c2cccc3c2Sc2ccc(NC4CCCN(Cc5ccncc5)C4)cc2S3)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 15/20 0.46
ATM Q13315 3/20 0.44
PIK3C3 Q8NEB9 2/20 0.44
ROCK1 Q13464 5/20 0.42
PARP14 Q460N5 1/20 0.40
CCR2 P41597 3/20 0.38
PIK3CA P42336 1/20 0.37

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
SCHEMBL17907015 0.93 ROCK2 (0.46) ROCK2ATMPIK3C3ROCK1PARP14
SCHEMBL17819472 0.92 ATM (0.46) ROCK2ATMPIK3C3ROCK1PARP14
SCHEMBL17820848 0.90 ROCK2 (0.45) ROCK2ATMPIK3C3ROCK1PARP14
SCHEMBL17819940 0.89 ATM (0.42) ROCK2ATMPIK3C3ROCK1CCR2
SCHEMBL17819675 0.86 ATM (0.43) ROCK2ATMPIK3C3ROCK1CCR2
SCHEMBL17819690 0.86 ATM (0.48) ROCK2ATMPIK3C3PIK3CA
SCHEMBL17907243 0.85 ROCK2 (0.43) ROCK2ATMROCK1PARP14CCR2
SCHEMBL17820660 0.85 PIK3C3 (0.49) ATMPIK3C3PIK3CA
SCHEMBL17820572 0.85 ATM (0.43) ROCK2ATMPIK3C3ROCK1PARP14
SCHEMBL17906787 0.84 ATM (0.45) ROCK2ATMPIK3C3PIK3CA

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 ROCK2 395/4885ATM 3209/4885PIK3C3 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.