SCHEMBL3578097

SCHEMBL3578097

NC(=O)c1cccc(C(=O)c2ccc3c(c2)NC(=O)C3=CNc2ccc(CCO)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 2/20 0.39
PDPK1 O15530 1/20 0.37
BACE1 P56817 2/20 0.35
NTRK1 P04629 1/20 0.35
MAP3K7 O43318 1/20 0.35
TAB1 Q15750 1/20 0.35
PIM1 P11309 1/20 0.34
TLK2 Q86UE8 1/20 0.34
AURKB Q96GD4 3/20 0.34
TGM2 P21980 2/20 0.34
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
VNN1 O95497 1/20 0.33
RAF1 P04049 1/20 0.33
FLT3 P36888 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
SCHEMBL3581709 0.92 AKT2 (0.40) AKT2PDPK1BACE1NTRK1MAP3K7
SCHEMBL3578100 0.91 PIM1 (0.40) AKT2PDPK1BACE1NTRK1MAP3K7
SCHEMBL3575063 0.91 PLAU (0.41) AKT2PDPK1BACE1NTRK1MAP3K7
SCHEMBL3572820 0.89 AKT2 (0.38) AKT2PDPK1BACE1NTRK1AURKB
SCHEMBL4757832 0.87 PRKAA1 (0.39) AKT2PDPK1NTRK1
SCHEMBL3567208 0.87 AKT2 (0.40) AKT2PDPK1PIM1
SCHEMBL4756597 0.86 PRKAA1 (0.38) AKT2PDPK1NTRK1AURKBFLT3
SCHEMBL3575353 0.85 ACHE (0.40) AKT2PDPK1NTRK1AURKBFLT3
SCHEMBL3584181 0.85 AURKB (0.34) AKT2PDPK1AURKBFLT3
SCHEMBL3572841 0.85 NTRK1 (0.40) AKT2PDPK1BACE1NTRK1MAP3K7

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 82/4885BACE1 4428/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 AKT2 168/4885PDPK1 86/4885BACE1 4343/4885

“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.