SCHEMBL2965598

SCHEMBL2965598

CC#CCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc(CO)c1C(=O)SC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
GPR119 Q8TDV5 5/20 0.33
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 2/20 0.33
ACHE P22303 1/20 0.33
NPC1 O15118 1/20 0.33
NR2F2 P24468 1/20 0.33
HTT P42858 1/20 0.33
SUV39H2 Q9H5I1 3/20 0.33
MAP4K4 O95819 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MMP13 P45452 2/20 0.33
ADAM17 P78536 2/20 0.33
MMP1 P03956 1/20 0.33
PTPN11 Q06124 1/20 0.33
MEN1 O00255 1/20 0.32

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
SCHEMBL13217147 0.87 KCNH2 (0.46) KCNH2CKS1BSKP1SKP2GPR119
SCHEMBL13201018 0.86 KCNH2 (0.40) KCNH2CKS1BSKP1SKP2GPR119
SCHEMBL2957159 0.86 KCNH2 (0.40) KCNH2CKS1BSKP1SKP2GPR119
SCHEMBL2958599 0.86 KCNH2 (0.39) KCNH2CKS1BSKP1SKP2GPR119
SCHEMBL2956820 0.86 KCNH2 (0.41) KCNH2CKS1BSKP1SKP2GPR119
SCHEMBL2957432 0.83 KCNH2 (0.47) KCNH2CKS1BSKP1SKP2GPR119
SCHEMBL2965716 0.82 KCNH2 (0.40) KCNH2CKS1BSKP1SKP2GPR119
SCHEMBL2959239 0.77 ATM (0.40) KCNH2CKS1BSKP1SKP2GPR119
SCHEMBL2968011 0.77 KCNH2 (0.40) KCNH2CKS1BSKP1SKP2GPR119
SCHEMBL2957142 0.76 KCNH2 (0.39) KCNH2CKS1BSKP1SKP2GPR119

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20060100199-A1 Novel condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-05-11 US disclosed
US-20060063787-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2006-03-23 US disclosed
EP-1514552-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE Eisai Co., Ltd. (JP) 2005-03-16 EP disclosed
US-20040116328-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2004-06-17 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-20060100199-A1 Novel condensed imidazole derivatives H1-2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-4 KCNH2 77/4885CKS1B 144/4885SKP1 928/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 KCNH2 106/4885CKS1B 103/4885SKP1 1478/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 KCNH2 106/4885CKS1B 103/4885SKP1 1478/4885

“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.