SCHEMBL3602589

SCHEMBL3602589

O=C(NCc1cccc(OCCN2CCOCC2)c1)N1CC=C(c2ccnc3[nH]ccc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 6/20 0.50
ROCK2 O75116 1/20 0.50
CDK9 P50750 3/20 0.46
CCNT1 O60563 2/20 0.46
AURKA O14965 3/20 0.46
RPS6KB1 P23443 3/20 0.46
CHEK1 O14757 2/20 0.43
MAP4K4 O95819 2/20 0.43
PIM1 P11309 2/20 0.43
PRKACA P17612 2/20 0.43
KDR P35968 2/20 0.43
CLK2 P49760 2/20 0.43
GSK3B P49841 2/20 0.43
PRKX P51817 2/20 0.43
CDK5 Q00535 2/20 0.43
PRKAA1 Q13131 2/20 0.43
DYRK1A Q13627 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
DAPK3 O43293 1/20 0.43
MAP2K2 P36507 1/20 0.43

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
SCHEMBL3604516 0.91 ROCK1 (0.54) ROCK1ROCK2CDK9CCNT1AURKA
SCHEMBL3604802 0.88 ROCK1 (0.48) ROCK1ROCK2CDK9CCNT1AURKA
SCHEMBL3598834 0.86 CDK9 (0.49) ROCK1CDK9CCNT1CHEK1MAP4K4
SCHEMBL3595639 0.84 CDK9 (0.46) ROCK1ROCK2CDK9CCNT1AURKA
SCHEMBL3600660 0.84 ROCK1 (0.50) ROCK1ROCK2AURKARPS6KB1MAP4K4
SCHEMBL3610309 0.78 ROCK1 (0.60) ROCK1ROCK2CDK9CCNT1AURKA
SCHEMBL3603810 0.77 CHEK1 (0.56) ROCK1ROCK2CDK9CCNT1AURKA
SCHEMBL1851852 0.75 ROCK1 (0.71) ROCK1ROCK2CDK9CCNT1AURKA
SCHEMBL3608832 0.75 ROCK1 (0.52) ROCK1ROCK2CDK9CCNT1AURKA
SCHEMBL3609648 0.75 CCNT1 (0.57) CDK9CCNT1

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 2/4885CDK9 271/4885

“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.