SCHEMBL2964901

SCHEMBL2964901

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.35
PTPN11 Q06124 1/20 0.35
CKS1B P61024 2/20 0.35
SKP1 P63208 2/20 0.35
SKP2 Q13309 2/20 0.35
ACHE P22303 2/20 0.34
KCNH2 Q12809 1/20 0.34
ACKR3 P25106 2/20 0.33
PRMT5 O14744 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SMARCA2 P51531 1/20 0.32
SMARCA4 P51532 1/20 0.32
PBRM1 Q86U86 1/20 0.32
BACE1 P56817 1/20 0.32
GLS O94925 1/20 0.32
SLC2A1 P11166 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
SCHEMBL2961229 0.88 GBA1 (0.36) GBA1PTPN11CKS1BSKP1SKP2
SCHEMBL2964221 0.78 PTPN11 (0.36) GBA1PTPN11CKS1BSKP1SKP2
SCHEMBL13200916 0.74 ACHE (0.41) GBA1PTPN11CKS1BSKP1SKP2
SCHEMBL2959239 0.73 ATM (0.40) CKS1BSKP1SKP2KCNH2KDM4E
SCHEMBL2956767 0.73 CKS1B (0.41) GBA1CKS1BSKP1SKP2ACHE
SCHEMBL13201018 0.72 KCNH2 (0.40) GBA1PTPN11CKS1BSKP1SKP2
SCHEMBL2965598 0.72 KCNH2 (0.40) PTPN11CKS1BSKP1SKP2ACHE
SCHEMBL13200917 0.70 KDM4E (0.42) GBA1PTPN11CKS1BSKP1SKP2
SCHEMBL2962659 0.70 ALDH1A1 (0.42) GBA1CKS1BSKP1SKP2ACHE
SCHEMBL2958599 0.69 KCNH2 (0.39) PTPN11CKS1BSKP1SKP2ACHE

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 1839/4885PTPN11 4324/4885CKS1B 144/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 GBA1 1123/4885PTPN11 2335/4885CKS1B 103/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 GBA1 1123/4885PTPN11 2335/4885CKS1B 103/4885

“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.