SCHEMBL3584082

SCHEMBL3584082

CC(CN(C)C)Nc1ccc(NC=C2C(=O)Nc3cc(C(=O)c4cccc(C(N)=O)c4)ccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 4/20 0.38
PDPK1 O15530 2/20 0.37
PDK1 Q15118 1/20 0.37
JAK3 P52333 2/20 0.34
AURKB Q96GD4 2/20 0.34
FLT3 P36888 1/20 0.34
PIM1 P11309 1/20 0.33
NTRK1 P04629 1/20 0.33
RAF1 P04049 1/20 0.33
CHEK1 O14757 1/20 0.32
F3 P13726 1/20 0.32
NTRK3 Q16288 1/20 0.32
CDYL2 Q8N8U2 1/20 0.32
CDYL Q9Y232 1/20 0.32
CDY1; CDY1B Q9Y6F8 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAP3K7 O43318 1/20 0.32
TAB1 Q15750 1/20 0.32
TGM2 P21980 1/20 0.32

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
SCHEMBL3584088 0.92 PIM1 (0.39) AKT2PDPK1PDK1JAK3AURKB
SCHEMBL3572820 0.84 AKT2 (0.38) AKT2PDPK1PDK1AURKBFLT3
SCHEMBL4789630 0.83 AURKB (0.38) AKT2PDPK1PDK1JAK3AURKB
SCHEMBL3575063 0.82 PLAU (0.41) AKT2PDPK1AURKBPIM1NTRK1
SCHEMBL3581709 0.82 AKT2 (0.40) AKT2PDPK1AURKBPIM1NTRK1
SCHEMBL4706311 0.81 CHEK2 (0.42) AKT2PDPK1PDK1FLT3CHEK1
SCHEMBL4757647 0.81 PRKAA1 (0.40) AKT2PDPK1AURKBFLT3NTRK1
SCHEMBL3575353 0.81 ACHE (0.40) AKT2PDPK1AURKBFLT3NTRK1
SCHEMBL3572841 0.81 NTRK1 (0.40) AKT2PDPK1AURKBFLT3PIM1
SCHEMBL3578097 0.80 AKT2 (0.39) AKT2PDPK1AURKBFLT3PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP claimed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US claimed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 WO claimed
US-7749530-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-07-06 US disclosed
WO-2010075197-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2010-07-01 WO disclosed
US-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US disclosed
US-20090208557-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-20 US disclosed
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 WO 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-20090208557-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 AKT2 94/4885PDPK1 82/4885PDK1 584/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 AKT2 168/4885PDPK1 86/4885PDK1 285/4885

“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.