SCHEMBL17819940

SCHEMBL17819940

O=c1cc(N2CCOCC2)cc(-c2cccc3c2Sc2ccc(NC4CCN(Cc5cccnc5)C4)cc2S3)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.42
PIK3C3 Q8NEB9 2/20 0.42
ROCK2 O75116 15/20 0.41
CCR2 P41597 5/20 0.41
ROCK1 Q13464 5/20 0.41
PIK3CA P42336 1/20 0.36
MAPK1 P28482 1/20 0.36

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 0.96 ROCK2 (0.46) ATMPIK3C3ROCK2CCR2ROCK1
SCHEMBL17820572 0.96 ATM (0.43) ATMPIK3C3ROCK2CCR2ROCK1
SCHEMBL17819675 0.95 ATM (0.43) ATMPIK3C3ROCK2CCR2ROCK1
SCHEMBL17819474 0.90 ATM (0.42) ATMPIK3C3PIK3CAMAPK1
SCHEMBL17820182 0.89 ROCK2 (0.46) ATMPIK3C3ROCK2CCR2ROCK1
SCHEMBL17819472 0.89 ATM (0.46) ATMPIK3C3ROCK2CCR2ROCK1
SCHEMBL17906787 0.87 ATM (0.45) ATMPIK3C3ROCK2PIK3CA
SCHEMBL17820608 0.86 ATM (0.47) ATMPIK3C3PIK3CAMAPK1
SCHEMBL17821111 0.85 ATM (0.50) ATMPIK3C3PIK3CA
SCHEMBL17819871 0.85 ATM (0.46) ATMPIK3C3PIK3CAMAPK1

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 3 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
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

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 3047/4885ROCK2 395/4885

“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.