SCHEMBL3602220

SCHEMBL3602220

O=C(NC(CCN1CCCC1)c1ccccc1)N1CC=C(c2ccnc3[nH]ccc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 5/20 0.61
ROCK1 Q13464 4/20 0.61
ROCK2 O75116 4/20 0.61
CHEK1 O14757 3/20 0.61
MAP4K4 O95819 3/20 0.61
PIM1 P11309 3/20 0.61
PRKACA P17612 3/20 0.61
CLK2 P49760 3/20 0.61
GSK3B P49841 3/20 0.61
CDK5 Q00535 3/20 0.61
PRKAA1 Q13131 3/20 0.61
DYRK1A Q13627 3/20 0.61
CLK4 Q9HAZ1 3/20 0.61
CHEK2 O96017 2/20 0.61
PRKCG P05129 2/20 0.61
CDK1 P06493 2/20 0.61
FGFR1 P11362 2/20 0.61
RPS6KB1 P23443 2/20 0.61
CDK2 P24941 2/20 0.61
MARK3 P27448 2/20 0.61

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
SCHEMBL3608525 0.89 ROCK1 (0.79) AKT3ROCK1ROCK2CHEK1MAP4K4
SCHEMBL3596684 0.84 AURKB (0.56) AKT3ROCK1ROCK2CHEK1MAP4K4
SCHEMBL3608714 0.81 ROCK1 (0.46) AKT3ROCK1ROCK2CHEK1MAP4K4
SCHEMBL3605135 0.76 DYRK1A (1.00) AKT3ROCK1ROCK2CHEK1MAP4K4
SCHEMBL1852515 0.75 CHEK1 (0.84) AKT3ROCK1ROCK2CHEK1MAP4K4
SCHEMBL3596197 0.74 PRKG1 (0.79) AKT3ROCK1ROCK2CHEK1MAP4K4
SCHEMBL14493878 0.73 CCNT1 (0.50) AKT3ROCK1ROCK2CHEK1MAP4K4
SCHEMBL3595645 0.73 CHEK1 (0.71) AKT3ROCK1ROCK2CHEK1MAP4K4
SCHEMBL30009302 0.71 JAK1 (0.52) AKT3ROCK1ROCK2CHEK1MAP4K4
SCHEMBL30009520 0.71 JAK1 (0.62) AKT3ROCK1ROCK2CHEK1MAP4K4

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 AKT3 24/4885ROCK1 1/4885ROCK2 2/4885

“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.