SCHEMBL5283890

SCHEMBL5283890

CC(C)Cc1cc(CC#N)on1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.36
CDC7 O00311 1/20 0.36
PLK4 O00444 1/20 0.36
DCLK1 O15075 1/20 0.36
MAPK13 O15264 1/20 0.36
DAPK3 O43293 1/20 0.36
DYRK3 O43781 1/20 0.36
JAK2 O60674 1/20 0.36
ROCK2 O75116 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
NTRK1 P04629 1/20 0.36
CDK1 P06493 1/20 0.36
RET P07949 1/20 0.36
ROS1 P08922 1/20 0.36
PRKACA P17612 1/20 0.36
RPS6KB1 P23443 1/20 0.36
CDK2 P24941 1/20 0.36
MARK3 P27448 1/20 0.36
TYK2 P29597 1/20 0.36

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
SCHEMBL10120992 0.81 S1PR1 (0.45) MAPK1CDC7PLK4DCLK1MAPK13
SCHEMBL11928813 0.78 RAB9A (0.39) MAPK1CDC7PLK4DCLK1MAPK13
SCHEMBL5287165 0.77 NOTUM (0.41) MAPK1CDC7PLK4DCLK1MAPK13
SCHEMBL3350172 0.77 MAPK1 (0.41) MAPK1CDC7PLK4DCLK1MAPK13
SCHEMBL20427474 0.75 RAB9A (0.49) MAPK1CDC7PLK4DCLK1MAPK13
SCHEMBL5279607 0.75 GRM5 (0.39) ALDH1A1LMNAATMRAB9ANPC1
SCHEMBL23174841 0.73 MAPT (0.37) ALDH1A1MAPTHSD17B10LMNAMEN1
SCHEMBL15200483 0.72
SCHEMBL5297276 0.71 VHL (0.42) MAPK1CDC7PLK4DCLK1MAPK13
SCHEMBL10120844 0.71 MAPK1 (0.35) MAPK1CDC7PLK4DCLK1MAPK13

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
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 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-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 MAPK1 3183/4885CDC7 1780/4885PLK4 3554/4885

“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.