SCHEMBL3462285

SCHEMBL3462285

NC(=O)c1ccccc1Cc1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.48
MAOB P27338 1/20 0.47
PARP10 Q53GL7 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
GPR52 Q9Y2T5 1/20 0.46
RPS6KB1 P23443 3/20 0.46
AURKA O14965 1/20 0.46
AURKB Q96GD4 1/20 0.46
PARP1 P09874 1/20 0.46
CDC7 O00311 1/20 0.44
ROCK2 O75116 1/20 0.44
MAP4K4 O95819 1/20 0.44
PIM1 P11309 1/20 0.44
CDK2 P24941 1/20 0.44
GSK3B P49841 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
NR3C2 P08235 1/20 0.44
HCAR2 Q8TDS4 1/20 0.43
SLC1A1 P43005 2/20 0.42
TAAR1 Q96RJ0 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
SCHEMBL29818302 0.86 SIRT2 (0.51) MAPK8MAOBPARP10SIRT2RPS6KB1
SCHEMBL28117926 0.86 TSHR (0.57) HCAR2
SCHEMBL27809629 0.84 MAPK8 (0.50) MAPK8MAOBPARP10SIRT2GPR52
SCHEMBL1500536 0.82 TSHR (0.51) MAPK8SIRT2RPS6KB1AURKAPARP1
SCHEMBL1004028 0.81 TSHR (0.58) SIRT2KDM4E
SCHEMBL28133577 0.81 PARP1 (0.47) GPR52PARP1KDM4E
SCHEMBL4977141 0.81 KDM4E (0.49) MAPK8SIRT2RPS6KB1AURKAPARP1
SCHEMBL3461101 0.81 ADRA1D (0.49) MAPK8SIRT2GPR52PARP1KDM4E
SCHEMBL3459871 0.81 MAPK8 (0.46) MAPK8PARP10GPR52RPS6KB1AURKA
SCHEMBL5261055 0.81 GPR52 (0.53) MAPK8MAOBSIRT2GPR52RPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651888-A1 NEW COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES Katholieke Universiteit Leuven K.U. Leuven R&D (BE) 2013-10-23 EP disclosed
WO-2012080221-A1 NEW COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-06-21 WO disclosed
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 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-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 MAPK8 224/4885MAOB 1058/4885PARP10 1091/4885

“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.