SCHEMBL2961229

SCHEMBL2961229

CC#CCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc(C(O[SiH](c2ccccc2)c2ccccc2)C(C)(C)C)c1C(N)=S

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.36
CKS1B P61024 2/20 0.36
SKP1 P63208 2/20 0.36
SKP2 Q13309 2/20 0.36
ACHE P22303 1/20 0.35
SMARCA2 P51531 1/20 0.34
SMARCA4 P51532 1/20 0.34
PBRM1 Q86U86 1/20 0.34
PTPN11 Q06124 1/20 0.34
KCNH2 Q12809 1/20 0.34
TLR9 Q9NR96 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
KIT P10721 1/20 0.33
MAP4K4 O95819 1/20 0.33
ACKR3 P25106 1/20 0.33
SLC2A1 P11166 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
PIK3CA P42336 1/20 0.32
ABCB1 P08183 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
SCHEMBL2964901 0.88 GBA1 (0.35) GBA1CKS1BSKP1SKP2ACHE
SCHEMBL2957159 0.78 KCNH2 (0.40) CKS1BSKP1SKP2ACHESMARCA2
SCHEMBL2961231 0.77 CKS1B (0.37) GBA1CKS1BSKP1SKP2ACHE
SCHEMBL13200916 0.75 ACHE (0.41) GBA1CKS1BSKP1SKP2ACHE
SCHEMBL2956767 0.74 CKS1B (0.41) GBA1CKS1BSKP1SKP2ACHE
SCHEMBL2956304 0.73 KCNH2 (0.40) CKS1BSKP1SKP2KCNH2MAP4K4
SCHEMBL2960782 0.72 KCNH2 (0.38) CKS1BSKP1SKP2ACHEPTPN11
SCHEMBL13200917 0.71 KDM4E (0.42) GBA1CKS1BSKP1SKP2ACHE
SCHEMBL2962659 0.71 ALDH1A1 (0.42) GBA1CKS1BSKP1SKP2ACHE
SCHEMBL2956844 0.70 KCNH2 (0.40) CKS1BSKP1SKP2KCNH2CTSS

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 6 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-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 GBA1 1839/4885CKS1B 144/4885SKP1 928/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 GBA1 1123/4885CKS1B 103/4885SKP1 1478/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 GBA1 1123/4885CKS1B 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.