Sugi Predict

Sugi Predict / Compounds / SCHEMBL2961231

SCHEMBL2961231

SCHEMBL2961231

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 2/20 0.37
▸ SKP1 P63208 2/20 0.37
▸ SKP2 Q13309 2/20 0.37
▸ ACHE P22303 2/20 0.36
▸ PTPN11 Q06124 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ KIT P10721 1/20 0.34
▸ GBA1 P04062 2/20 0.34
▸ SMARCA2 P51531 1/20 0.34
▸ SMARCA4 P51532 1/20 0.34
▸ PBRM1 Q86U86 1/20 0.34
▸ ACKR3 P25106 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NR2F2 P24468 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2964221 0.88 PTPN11 (0.36) CKS1BSKP1SKP2ACHEPTPN11
SCHEMBL2957159 0.83 KCNH2 (0.40) CKS1BSKP1SKP2ACHEPTPN11
SCHEMBL2961229 0.77 GBA1 (0.36) CKS1BSKP1SKP2ACHEPTPN11
SCHEMBL2956304 0.74 KCNH2 (0.40) CKS1BSKP1SKP2KCNH2ALDH1A1
SCHEMBL13200917 0.72 KDM4E (0.42) CKS1BSKP1SKP2ACHEPTPN11
SCHEMBL13200916 0.72 ACHE (0.41) CKS1BSKP1SKP2ACHEPTPN11
SCHEMBL2962659 0.72 ALDH1A1 (0.42) CKS1BSKP1SKP2ACHEKCNH2
SCHEMBL13217148 0.71 KCNH2 (0.46) CKS1BSKP1SKP2ACHEPTPN11
SCHEMBL2965598 0.70 KCNH2 (0.40) CKS1BSKP1SKP2ACHEPTPN11
SCHEMBL2956767 0.70 CKS1B (0.41) CKS1BSKP1SKP2ACHEKCNH2

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 CKS1B 144/4885SKP1 928/4885SKP2 654/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 CKS1B 103/4885SKP1 1478/4885SKP2 976/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 CKS1B 103/4885SKP1 1478/4885SKP2 976/4885

“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.