Sugi Predict

Sugi Predict / Compounds / SCHEMBL4496835

SCHEMBL4496835

SCHEMBL4496835

C[C@@H]1CN(Cc2cccc(Cl)c2)[C@@H](C)CN1C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 1/20 0.52
▸ PDK2 Q15119 1/20 0.52
▸ PDK3 Q15120 1/20 0.52
▸ PDK4 Q16654 1/20 0.52
▸ CCR1 P32246 6/20 0.46
▸ MAPK14 Q16539 3/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ TBK1 Q9UHD2 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ DRD2 P14416 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GRM5 P41594 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.40

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
SCHEMBL107382 0.88 PDK1 (0.65) PDK1PDK2PDK3PDK4CCR1
SCHEMBL105646 0.88 PDK1 (0.65) PDK1PDK2PDK3PDK4CCR1
SCHEMBL13810588 0.88 PDK1 (0.65) PDK1PDK2PDK3PDK4CCR1
SCHEMBL105647 0.88 PDK1 (0.65) PDK1PDK2PDK3PDK4CCR1
SCHEMBL13954894 0.83 PTGDR2 (0.52) CCR1HDAC1HDAC6DRD2DRD4
SCHEMBL17155338 0.83 PDK1 (0.46) PDK1PDK2PDK3PDK4MAPK14
SCHEMBL30294995 0.83 PDK1 (0.58) PDK1PDK2PDK3PDK4MAPK14
SCHEMBL15292045 0.82 PDK1 (0.51) PDK1PDK2PDK3PDK4CCR1
SCHEMBL4501274 0.81 PDK1 (0.53) PDK1PDK2PDK3PDK4CCR1
SCHEMBL20333136 0.80 HDAC1 (0.52) PDK1PDK2PDK3PDK4MAPK14

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-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-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
EP-1545528-A4 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS INC (US) 2006-07-26 — — EP disclosed
EP-1545528-A2 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS INC. (US) 2005-06-29 — — EP disclosed
US-20040142940-A1 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. 2004-07-22 — — US disclosed
WO-2004022712-A2 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF p38 KINASE SCIOS INC. (US) 2004-03-18 — — 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-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.