SCHEMBL3572822

SCHEMBL3572822

CN(C)CCc1ccc(NC=C2C(=O)Nc3cc(C(=O)c4cccc(N)c4)ccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.38
TGM2 P21980 1/20 0.36
AKT2 P31751 2/20 0.36
PDPK1 O15530 2/20 0.36
PDK1 Q15118 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
AURKB Q96GD4 2/20 0.34
FLT3 P36888 1/20 0.34
CHEK1 O14757 2/20 0.34
CSF1R P07333 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PBRM1 Q86U86 1/20 0.33
NTRK1 P04629 1/20 0.33
BACE1 P56817 1/20 0.33
ROCK2 O75116 1/20 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
SCHEMBL3572820 0.92 AKT2 (0.38) AKT2PDPK1PDK1HRH3AURKB
SCHEMBL3578100 0.89 PIM1 (0.40) PIM1TGM2AKT2PDPK1NPC1
SCHEMBL3575067 0.88 PIM1 (0.42) PIM1TGM2AKT2PDPK1NPC1
SCHEMBL3581713 0.87 PIM1 (0.41) PIM1TGM2AKT2PDPK1NPC1
SCHEMBL4706315 0.86 KDR (0.41) PIM1HRH3FLT3
SCHEMBL3584088 0.84 PIM1 (0.39) PIM1TGM2AKT2PDPK1PDK1
SCHEMBL3567211 0.84 CHEK1 (0.38) PIM1TGM2AKT2PDPK1AURKB
SCHEMBL4757832 0.83 PRKAA1 (0.39) AKT2PDPK1CHEK1CSF1RPRKAA2
SCHEMBL3572847 0.82 PIM1 (0.42) PIM1TGM2PDPK1NPC1MITF
SCHEMBL3572532 0.82 CSF1R (0.40) PIM1TGM2AKT2PDPK1LMNA

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 498/4885TGM2 3854/4885AKT2 94/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 PIM1 268/4885TGM2 2093/4885AKT2 168/4885

“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.