SCHEMBL3607698

SCHEMBL3607698

O=C(NC(CCC1CCCO1)c1ccccc1)N1CC=C(c2cnc3[nH]ccc3c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.42
MAP4K4 O95819 2/20 0.42
FGFR1 P11362 2/20 0.42
MARK3 P27448 2/20 0.42
FLT4 P35916 2/20 0.42
FLT3 P36888 2/20 0.42
CLK2 P49760 2/20 0.42
MAP4K2 Q12851 2/20 0.42
ROCK1 Q13464 2/20 0.42
MINK1 Q8N4C8 2/20 0.42
AURKB Q96GD4 2/20 0.42
PRKD2 Q9BZL6 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
MAP4K5 Q9Y4K4 2/20 0.42
CHEK1 O14757 1/20 0.42
ROCK2 O75116 1/20 0.42
RPS6KA5 O75582 1/20 0.42
CHEK2 O96017 1/20 0.42
PRKCG P05129 1/20 0.42
CDK1 P06493 1/20 0.42

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
SCHEMBL3608714 0.84 ROCK1 (0.46) MAPK1MAP4K4FGFR1MARK3FLT4
SCHEMBL3596684 0.83 AURKB (0.56) MAPK1MAP4K4FGFR1MARK3FLT4
SCHEMBL3595645 0.79 CHEK1 (0.71) MAPK1MAP4K4FGFR1MARK3FLT4
SCHEMBL3601935 0.78 TNIK (0.42) MAPK1MAP4K4FGFR1MARK3FLT4
SCHEMBL3602313 0.71 PRKG1 (0.64) MAPK1MAP4K4FGFR1MARK3FLT4
SCHEMBL27819463 0.68 TNIK (0.50) MAPK1MAP4K4FGFR1MARK3FLT4
SCHEMBL3602220 0.66 AKT3 (0.61) MAPK1MAP4K4FGFR1MARK3FLT4
SCHEMBL3600660 0.64 ROCK1 (0.50) MAP4K4FGFR1MARK3FLT4FLT3
SCHEMBL3603815 0.64 TNIK (0.49) MAP4K4FGFR1MARK3FLT4FLT3
SCHEMBL28499853 0.63 PLK4 (0.45) MAP4K4FGFR1MARK3FLT4FLT3

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 MAPK1 63/4885MAP4K4 105/4885FGFR1 1364/4885

“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.