SCHEMBL13829654

SCHEMBL13829654

CC(C)C(=O)Nc1ccc(-c2n[nH]c3ncnc(N4CCOCC4)c23)cc1F

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 13/20 0.44
MTOR P42345 3/20 0.44
PIK3CA P42336 2/20 0.41
STK4 Q13043 4/20 0.41
STK3 Q13188 4/20 0.41
PIK3CG P48736 1/20 0.41
PAK1 Q13153 1/20 0.39

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
SCHEMBL13828432 0.83 PDE2A (0.45) LRRK2MTORPIK3CAPIK3CG
SCHEMBL19414399 0.82 FLT3 (0.44) MTORPIK3CASTK3PIK3CG
SCHEMBL13717860 0.80 LRRK2 (0.51) LRRK2STK4STK3
SCHEMBL13718282 0.73 PDE3B (0.44) LRRK2STK4STK3
SCHEMBL13718230 0.72 PDE3B (0.44) LRRK2STK4STK3
SCHEMBL13718314 0.72 PDE3B (0.42) LRRK2STK4STK3
SCHEMBL13826604 0.71 LRRK2 (0.47) LRRK2STK4STK3
SCHEMBL13717801 0.71 PIK3CD (0.46) LRRK2MTORPIK3CASTK4STK3
SCHEMBL30295802 0.70 LRRK2 (0.67) LRRK2STK4STK3
SCHEMBL13829837 0.70 FLT3 (0.44) STK3

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-10220035-B2 Compounds as modulators of protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2019-03-05 US disclosed
US-20120289496-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2012-11-15 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 (2 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-20120289496-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB LRRK2 317/4885MTOR 76/4885PIK3CA 88/4885
US-10220035-B2 Compounds as modulators of protein kinases PRKCA, PRKCH, PRKCE LRRK2 376/4885MTOR 62/4885PIK3CA 64/4885

“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.