SCHEMBL5747110

SCHEMBL5747110

COc1ccc2nccc(NC(=O)C3(C)CCN(C(=O)OC(C)(C)C)CC3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.44
NTRK1 P04629 1/20 0.40
MAP4K4 O95819 1/20 0.39
TBK1 Q9UHD2 3/20 0.39
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
ACHE P22303 1/20 0.36
PIK3CD O00329 1/20 0.36

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
SCHEMBL5748598 0.91 KCNH2 (0.44) KCNH2MAP4K4TBK1JAK2JAK1
SCHEMBL5748379 0.91 KCNH2 (0.51) KCNH2MAP4K4TBK1JAK2JAK1
SCHEMBL5801155 0.88 KCNH2 (0.42) KCNH2MAP4K4TBK1JAK2JAK1
SCHEMBL5775818 0.85 MAP4K4 (0.45) KCNH2MAP4K4TBK1CCNCCDK8
SCHEMBL5749568 0.83 KCNH2 (0.40) KCNH2MAP4K4TBK1JAK2JAK1
SCHEMBL5750917 0.81 KCNH2 (0.41) KCNH2MAP4K4TBK1JAK2JAK1
SCHEMBL5749905 0.80 KCNH2 (0.49) KCNH2
SCHEMBL633007 0.80 KCNH2 (0.50) KCNH2NTRK1MAP4K4TBK1PIK3CD
SCHEMBL1224264 0.80 MAP4K4 (0.42) MAP4K4TBK1JAK2JAK1DDB1
SCHEMBL5747115 0.79 KCNH2 (0.41) KCNH2ACHE

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
EP-1419155-B1 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2006-11-08 EP disclosed
US-20040198756-A1 Medicaments SMITHKLINE BEECHAM PLC (GB) 2004-10-07 US disclosed
EP-1419155-A2 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2004-05-19 EP disclosed
WO-2003010138-A2 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2003-02-06 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 (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-20040198756-A1 Medicaments PIGO, PSAP, CD68 KCNH2 3821/4885NTRK1 4534/4885MAP4K4 3298/4885

“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.