SCHEMBL2957159

SCHEMBL2957159

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
MAP4K4 O95819 1/20 0.35
MMP13 P45452 4/20 0.34
ADAM17 P78536 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MMP2 P08253 1/20 0.34
MMP14 P50281 1/20 0.34
GPR119 Q8TDV5 3/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
ACHE P22303 1/20 0.33
SUV39H2 Q9H5I1 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MMP1 P03956 1/20 0.33
PTPN11 Q06124 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
SCHEMBL13217148 0.87 KCNH2 (0.46) KCNH2MAP4K4SMN1; SMN2CKS1BSKP1
SCHEMBL2965598 0.86 KCNH2 (0.40) KCNH2MAP4K4MMP13ADAM17SMN1; SMN2
SCHEMBL2956820 0.86 KCNH2 (0.41) KCNH2SMN1; SMN2CKS1BSKP1SKP2
SCHEMBL2957432 0.83 KCNH2 (0.47) KCNH2SMN1; SMN2CKS1BSKP1SKP2
SCHEMBL2956304 0.83 KCNH2 (0.40) KCNH2MAP4K4SMN1; SMN2CKS1BSKP1
SCHEMBL2961231 0.83 CKS1B (0.37) KCNH2SMN1; SMN2CKS1BSKP1SKP2
SCHEMBL2957142 0.80 KCNH2 (0.39) KCNH2MAP4K4MMP13ADAM17SMN1; SMN2
SCHEMBL2961229 0.78 GBA1 (0.36) KCNH2MAP4K4CKS1BSKP1SKP2
SCHEMBL2960782 0.78 KCNH2 (0.38) KCNH2MAP4K4MMP13ADAM17SMN1; SMN2
SCHEMBL2968011 0.77 KCNH2 (0.40) KCNH2MMP13ADAM17SMN1; SMN2CKS1B

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 77/4885MAP4K4 1693/4885MMP13 4374/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 KCNH2 106/4885MAP4K4 1862/4885MMP13 3210/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 KCNH2 106/4885MAP4K4 1862/4885MMP13 3210/4885

“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.