SCHEMBL4512189

SCHEMBL4512189

COc1cccc(-c2cc(C(=O)Nc3ccnc4[nH]ncc34)ccc2C(C)N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.42
GSK3B P49841 4/20 0.42
ROCK1 Q13464 3/20 0.42
FLT3 P36888 3/20 0.42
PRKD3 O94806 2/20 0.42
MAP4K4 O95819 2/20 0.42
MARK3 P27448 2/20 0.42
GSK3A P49840 2/20 0.42
PRKCD Q05655 2/20 0.42
PKN2 Q16513 2/20 0.42
PRKD2 Q9BZL6 2/20 0.42
DYRK3 O43781 1/20 0.42
NTRK1 P04629 1/20 0.42
LCK P06239 1/20 0.42
CDK1 P06493 1/20 0.42
FGFR1 P11362 1/20 0.42
RPS6KB1 P23443 1/20 0.42
AXL P30530 1/20 0.42
FLT4 P35916 1/20 0.42
SYK P43405 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
SCHEMBL4519288 0.91 ROCK2 (0.47) ROCK2GSK3BROCK1FLT3PRKD3
SCHEMBL4518685 0.89 ROCK2 (0.48) ROCK2GSK3BROCK1PRKD3MAP4K4
SCHEMBL4525443 0.88 NUDT1 (0.52) ROCK2GSK3BROCK1PRKD3MAP4K4
SCHEMBL4509434 0.88 ROCK2 (0.47) ROCK2GSK3BROCK1PRKD3MAP4K4
SCHEMBL4520037 0.87 ROCK2 (0.57) ROCK2GSK3BROCK1FLT3PRKD3
SCHEMBL4519995 0.86 ROCK2 (0.44) ROCK2GSK3BROCK1PRKD3MAP4K4
SCHEMBL4516882 0.86 ROCK2 (0.41) ROCK2GSK3BROCK1PRKD3MAP4K4
SCHEMBL4527560 0.85 ROCK2 (0.55) ROCK2GSK3BROCK1PRKD3MAP4K4
SCHEMBL4513518 0.84 ROCK2 (0.42) ROCK2GSK3BROCK1PRKD3MAP4K4
SCHEMBL4515848 0.84 ROCK2 (0.49) ROCK2GSK3BROCK1PRKD3MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 US claimed
US-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 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-20090233960-A1 Kinase Inhibitors ROCK1, MAP3K1, MAP3K11 ROCK2 32/4885GSK3B 13/4885ROCK1 1/4885

“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.