SCHEMBL3584088

SCHEMBL3584088

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.39
AKT2 P31751 3/20 0.35
PDPK1 O15530 2/20 0.35
PDK1 Q15118 1/20 0.35
TGM2 P21980 2/20 0.35
NPC1 O15118 1/20 0.34
MITF O75030 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
JAK3 P52333 2/20 0.34
AURKB Q96GD4 2/20 0.34
FLT3 P36888 1/20 0.34
PBRM1 Q86U86 1/20 0.32
NTRK1 P04629 1/20 0.32
RAF1 P04049 1/20 0.32
CHEK1 O14757 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

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
SCHEMBL3584082 0.92 AKT2 (0.38) PIM1AKT2PDPK1PDK1TGM2
SCHEMBL3572822 0.84 PIM1 (0.38) PIM1AKT2PDPK1PDK1TGM2
SCHEMBL3575067 0.83 PIM1 (0.42) PIM1AKT2PDPK1TGM2NPC1
SCHEMBL3581713 0.82 PIM1 (0.41) PIM1AKT2PDPK1TGM2NPC1
SCHEMBL4706315 0.82 KDR (0.41) PIM1FLT3
SCHEMBL3572847 0.81 PIM1 (0.42) PIM1PDPK1TGM2NPC1MITF
SCHEMBL3578100 0.81 PIM1 (0.40) PIM1AKT2PDPK1TGM2NPC1
SCHEMBL4994490 0.79 PDGFRB (0.48) TGM2AURKBFLT3
SCHEMBL4994501 0.79 PDGFRB (0.48) TGM2AURKBFLT3
SCHEMBL3570007 0.79 LMNA (0.45) PIM1PDPK1TGM2NPC1MITF

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 PIM1 498/4885AKT2 94/4885PDPK1 82/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 PIM1 268/4885AKT2 168/4885PDPK1 86/4885

“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.