SCHEMBL2957448

SCHEMBL2957448

CN(C)c1nn(C)c(=O)c2nc(N3CCN(C(=O)OC(C)(C)C)CC3)[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.45
TLR9 Q9NR96 1/20 0.39
LMNA P02545 2/20 0.38
NAMPT P43490 1/20 0.38
NPC1 O15118 1/20 0.38
NR2F2 P24468 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAP4K4 O95819 1/20 0.36
CKS1B P61024 2/20 0.35
SKP1 P63208 2/20 0.35
SKP2 Q13309 2/20 0.35
PARP1 P09874 1/20 0.35
ACKR3 P25106 2/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OGFRL1 Q5TC84 1/20 0.35
ACHE P22303 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL13200965 0.92 KCNH2 (0.45) KCNH2TLR9LMNANAMPTNPC1
SCHEMBL2962388 0.74 NAMPT (0.46) KCNH2LMNANAMPTNPC1NR2F2
SCHEMBL5718929 0.73 MEN1 (0.60) KCNH2LMNANAMPTSMN1; SMN2CKS1B
SCHEMBL13217675 0.73 KCNH2 (0.44) KCNH2LMNANAMPTNPC1NR2F2
SCHEMBL13217520 0.72 KCNH2 (0.43) KCNH2LMNANAMPTMAP4K4CKS1B
SCHEMBL2964910 0.71 ACHE (0.43) KCNH2TLR9LMNANPC1NR2F2
SCHEMBL13217526 0.68 KCNH2 (0.45) KCNH2LMNANAMPTHTTSMN1; SMN2
SCHEMBL13217539 0.67 KCNH2 (0.39) KCNH2LMNANAMPTNPC1NR2F2
SCHEMBL5719178 0.66 DCTPP1 (0.43) KCNH2LMNANAMPTMAP4K4CKS1B
SCHEMBL1920031 0.66 SCD (0.47) KCNH2LMNANAMPTMAP4K4CKS1B

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 KCNH2 77/4885TLR9 4535/4885LMNA 2494/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 KCNH2 106/4885TLR9 4356/4885LMNA 3909/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 KCNH2 106/4885TLR9 4356/4885LMNA 3909/4885

“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.