SCHEMBL5775818

SCHEMBL5775818

COc1ccc2nccc(NC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.45
MAPT P10636 2/20 0.43
TBK1 Q9UHD2 3/20 0.43
KCNH2 Q12809 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
ACHE P22303 1/20 0.41
NAMPT P43490 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
PIK3CD O00329 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 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
SCHEMBL5748379 0.85 KCNH2 (0.51) MAP4K4TBK1KCNH2ACHEGPR119
SCHEMBL5748598 0.85 KCNH2 (0.44) MAP4K4TBK1KCNH2ACHEGPR119
SCHEMBL5747110 0.85 KCNH2 (0.44) MAP4K4TBK1KCNH2ACHEGPR119
SCHEMBL4271556 0.85 ATM (0.45) MAP4K4KCNH2NAMPT
SCHEMBL633007 0.84 KCNH2 (0.50) MAP4K4TBK1KCNH2ALDH1A1PIK3CD
SCHEMBL4273977 0.83 KCNH2 (0.42) MAPTKCNH2KDM4EALDH1A1PI4KB
SCHEMBL5801155 0.82 KCNH2 (0.42) MAP4K4TBK1KCNH2GPR119CCNC
SCHEMBL4269605 0.81 KCNH2 (0.45) KCNH2PI4KBPIK3CD
SCHEMBL5749568 0.81 KCNH2 (0.40) MAP4K4TBK1KCNH2ACHENAMPT
SCHEMBL5520005 0.80 KCNH2 (0.53) MAP4K4TBK1KCNH2

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-1343780-B1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM PLC (GB) 2006-09-20 EP disclosed
US-20040077655-A1 Piperazine derivatives for treatment of bacterial infections SMITHKLINE BEECHAM P.L.C. (GB) 2004-04-22 US disclosed
EP-1343780-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM PLC (GB) 2003-09-17 EP disclosed
WO-2002050061-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-27 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-20040077655-A1 Piperazine derivatives for treatment of bacterial infections MYD88, THPO, PIGO MAP4K4 2513/4885MAPT 4459/4885TBK1 716/4885

“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.