SCHEMBL3779564

SCHEMBL3779564

CC(C)(C)C(NC(=O)O)C1(COc2cnc(F)c(-c3ccncc3)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 6/20 0.33
PRKACA P17612 4/20 0.33
GSK3A P49840 4/20 0.33
GSK3B P49841 4/20 0.33
PRKX P51817 4/20 0.33
CLK4 Q9HAZ1 4/20 0.33
PRKCQ Q04759 1/20 0.33
CYP4A11 Q02928 2/20 0.33
CYP4F2 P78329 1/20 0.33
CYP46A1 Q9Y6A2 3/20 0.33
PRKG1 Q13976 4/20 0.33
ROCK2 O75116 3/20 0.33
RPS6KB1 P23443 3/20 0.33
CDK2 P24941 3/20 0.33
AKT2 P31751 3/20 0.33
PRKCD Q05655 3/20 0.33
PRKG2 Q13237 3/20 0.33
PKN2 Q16513 3/20 0.33
HIPK4 Q8NE63 3/20 0.33
SGK2 Q9HBY8 3/20 0.33

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
SCHEMBL3779580 0.91 AHR (0.36) GSK3BAKR1C3AKR1C2GCK
SCHEMBL3780099 0.90 MAP4K4 (0.36) MAP4K4FFAR4MINK1
SCHEMBL3781398 0.90 FFAR4 (0.35) FFAR4
SCHEMBL3777917 0.89 FFAR4 (0.35) CYP46A1FFAR4
SCHEMBL3779586 0.88 KDM1A (0.37) AKT1MAP4K4MINK1
SCHEMBL3767789 0.85 ECE1 (0.36) FFAR4
SCHEMBL3771948 0.85 CNR2 (0.36)
SCHEMBL3768528 0.84 SLC22A12 (0.37) CLK4MAPK1
SCHEMBL3773302 0.82 CYP4A11 (0.34) CYP4A11CYP4F2
SCHEMBL3776531 0.82 MAP4K4 (0.37) MAP4K4FFAR4MINK1

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-20100317698-A1 Polysubstituted Pyridinylaminoalkylene- and Pyridinyloxyalkylene-Cyclopropanamine Compounds, a Process for Their Preparation and Pharmaceutical Compositions Containing Them LES LABORATOIRES SERVIER (FR) 2010-12-16 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-20100317698-A1 Polysubstituted Pyridinylaminoalkylene- and Pyridinyloxyalkylene-Cyclopropanamine Compounds, a Process for Their Preparation and Pharmaceutical Compositions Containing Them CHRNA6, CHRNE, CHRNG ROCK1 2896/4885PRKACA 4040/4885GSK3A 1070/4885

“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.