SCHEMBL3582425

SCHEMBL3582425

NC(=O)c1cccc(Cc2ccc3c(c2)C(=CNc2cccc(O)c2)C(=O)N3)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 6/20 0.44
MAP3K7 O43318 1/20 0.43
TAB1 Q15750 1/20 0.43
PDPK1 O15530 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
GSK3B P49841 4/20 0.39
PARP1 P09874 1/20 0.38
PDK1 Q15118 1/20 0.38
TGM2 P21980 1/20 0.38
HSP90AA1 P07900 2/20 0.37
NTRK1 P04629 1/20 0.37
S1PR4 O95977 1/20 0.37
MAPT P10636 1/20 0.37
ALOX12 P18054 1/20 0.37
S1PR1 P21453 1/20 0.37
NTSR1 P30989 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL4759184 0.93 AKT2 (0.43) AKT2MAP3K7TAB1PDPK1ALDH1A1
SCHEMBL3582428 0.87 ALDH1A1 (0.44) AKT2MAP3K7TAB1PDPK1ALDH1A1
SCHEMBL3579184 0.87 AKT2 (0.44) AKT2PDPK1ALDH1A1GSK3BPARP1
SCHEMBL4759187 0.86 ALDH1A1 (0.45) AKT2MAP3K7TAB1PDPK1ALDH1A1
SCHEMBL3584594 0.85 PDPK1 (0.48) AKT2MAP3K7TAB1PDPK1ALDH1A1
SCHEMBL3579643 0.85 PARP1 (0.44) AKT2PDPK1GSK3BPARP1CDYL2
SCHEMBL4756702 0.85 GSK3B (0.50) AKT2MAP3K7TAB1PDPK1ALDH1A1
SCHEMBL4756700 0.85 GSK3B (0.50) AKT2MAP3K7TAB1PDPK1ALDH1A1
SCHEMBL5425612 0.83 GSK3B (0.50) AKT2PDPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL4704718 0.83 GSK3B (0.50) AKT2PDPK1ALDH1A1CYP1A2CYP3A4

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
US-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US claimed
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

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-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 AKT2 168/4885MAP3K7 15/4885TAB1 453/4885

“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.