SCHEMBL4501274

SCHEMBL4501274

C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.53
PDK2 Q15119 1/20 0.53
PDK3 Q15120 1/20 0.53
PDK4 Q16654 1/20 0.53
CCR1 P32246 10/20 0.52
MAPK11 Q15759 2/20 0.45
MAPK14 Q16539 2/20 0.45
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
NQO2 P16083 1/20 0.45
MAPKAPK2 P49137 1/20 0.45
ACTR2 P61160 1/20 0.45
GPR119 Q8TDV5 2/20 0.45
TBK1 Q9UHD2 1/20 0.41

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
SCHEMBL15292045 0.89 PDK1 (0.51) PDK1PDK2PDK3PDK4CCR1
SCHEMBL107382 0.88 PDK1 (0.65) PDK1PDK2PDK3PDK4CCR1
SCHEMBL13810588 0.88 PDK1 (0.65) PDK1PDK2PDK3PDK4CCR1
SCHEMBL105646 0.88 PDK1 (0.65) PDK1PDK2PDK3PDK4CCR1
SCHEMBL105647 0.88 PDK1 (0.65) PDK1PDK2PDK3PDK4CCR1
SCHEMBL30900050 0.87 PDK1 (0.53) PDK1PDK2PDK3PDK4CCR1
SCHEMBL20333136 0.86 HDAC1 (0.52) PDK1PDK2PDK3PDK4MAPK14
SCHEMBL31305836 0.84 PDK1 (0.42) PDK1PDK2PDK3PDK4CCR1
SCHEMBL6076722 0.83 CCR1 (0.51) PDK1PDK2PDK3PDK4CCR1
SCHEMBL25327923 0.83 PDK1 (0.52) PDK1PDK2PDK3PDK4CCR1

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
US-7488744-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2009-02-10 US disclosed
US-7488744-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2009-02-10 US disclosed
US-7291613-B2 Inhibitors of p38 kinase SCIOS, INC. (US) 2007-11-06 US disclosed
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS, INC. (US) 2007-10-04 US disclosed
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS, INC. (US) 2007-10-04 US disclosed
US-20070161649-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF p38 KINASE SCIOS INC. 2007-07-12 US disclosed
US-7238712-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2007-07-03 US disclosed
US-7220763-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2007-05-22 US disclosed
US-7220763-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2007-05-22 US disclosed
US-20040142940-A1 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. 2004-07-22 US 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 (3 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-20070161649-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF p38 KINASE GRK6, CSNK2A2, CSNK2A1 PDK1 1712/4885PDK2 664/4885PDK3 692/4885
US-20040142940-A1 Indole-type derivatives as inhibitors of p38 kinase MAPK1, MAPKAPK2, MAPK4 PDK1 1015/4885PDK2 576/4885PDK3 784/4885
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE MAPK1, MAPKAPK2, MAPKAPK5 PDK1 1016/4885PDK2 567/4885PDK3 738/4885

“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.