SCHEMBL3600660

SCHEMBL3600660

O=C(NCc1cccc(OCCN2CCOCC2)c1)N1CC=C(c2cnc3[nH]ccc3c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 4/20 0.50
ROCK2 O75116 1/20 0.50
CD274 Q9NZQ7 1/20 0.49
AURKB Q96GD4 3/20 0.46
JAK2 O60674 2/20 0.46
MAP4K4 O95819 2/20 0.46
ROS1 P08922 2/20 0.46
FLT1 P17948 2/20 0.46
FLT4 P35916 2/20 0.46
KDR P35968 2/20 0.46
FLT3 P36888 2/20 0.46
MAP4K2 Q12851 2/20 0.46
NTRK3 Q16288 2/20 0.46
MINK1 Q8N4C8 2/20 0.46
MAP4K5 Q9Y4K4 2/20 0.46
PLK4 O00444 1/20 0.46
FGFR1 P11362 1/20 0.46
MARK3 P27448 1/20 0.46
CLK2 P49760 1/20 0.46
CSNK1G2 P78368 1/20 0.46

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
SCHEMBL3603815 0.88 TNIK (0.49) ROCK1ROCK2AURKBJAK2MAP4K4
SCHEMBL3609665 0.86 CD274 (0.60) ROCK1CD274AURKBJAK2MAP4K4
SCHEMBL3601935 0.84 TNIK (0.42) ROCK1ROCK2AURKBJAK2MAP4K4
SCHEMBL3602589 0.84 ROCK1 (0.50) ROCK1ROCK2AURKBMAP4K4FLT4
SCHEMBL3604516 0.80 ROCK1 (0.54) ROCK1ROCK2AURKBJAK2MAP4K4
SCHEMBL3603801 0.75 CCNT1 (0.48) ROCK1ROCK2TNIK
SCHEMBL27819463 0.74 TNIK (0.50) ROCK1ROCK2AURKBMAP4K4FLT4
SCHEMBL1267865 0.72 CD274 (0.53) CD274PRKCQKDM4E
SCHEMBL3604802 0.71 ROCK1 (0.48) ROCK1ROCK2AURKBMAP4K4FLT4
SCHEMBL3598834 0.70 CDK9 (0.49) ROCK1CD274JAK2MAP4K4KDR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035919-A1 COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2010-02-11 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-20100035919-A1 COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES ROCK1, ROCK2, RHOA ROCK1 1/4885ROCK2 2/4885CD274 4694/4885

“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.