SCHEMBL1232863

SCHEMBL1232863

CS(=O)(=O)N1CCn2c(nc3c(N)nc4cc(F)ccc4c32)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.38
ADAMTS5 Q9UNA0 3/20 0.36
MMP14 P50281 2/20 0.36
MAP4K4 O95819 1/20 0.35
ALDH1A1 P00352 6/20 0.33
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
F12 P00748 1/20 0.33
AKT1 P31749 1/20 0.33
TRPV4 Q9HBA0 1/20 0.32
MAPK1 P28482 1/20 0.32
KCNH2 Q12809 1/20 0.32
ACHE P22303 1/20 0.32
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31

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
SCHEMBL1232937 0.94 PKM (0.33) PKMADAMTS5MMP14MAP4K4ALDH1A1
SCHEMBL1232765 0.88 HRH4 (0.39) PKMMAP4K4ACHE
SCHEMBL1233100 0.87 TLR7 (0.40) ALDH1A1
SCHEMBL12888471 0.84 TLR7 (0.41) PKMALDH1A1KCNH2
SCHEMBL1232864 0.82 HRH4 (0.38) ALDH1A1MAPK1ACHE
SCHEMBL1232440 0.81 TLR7 (0.39) ALDH1A1
Trifluoroacetic Acid SCHEMBL1232744 0.80 LIPG (0.39) PKMADAMTS5MMP14ALDH1A1
SCHEMBL1233364 0.79 PRMT5 (0.39)
SCHEMBL1231786 0.78 TLR7 (0.40) ALDH1A1KCNH2ACHE
SCHEMBL1232954 0.75 CYP11B1 (0.39) ALDH1A1MAPK1

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-7888349-B2 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-02-15 US disclosed
US-7888349-B2 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-02-15 US disclosed
US-7888349-B2 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-02-15 US disclosed
US-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY 2007-07-19 US disclosed
US-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY 2007-07-19 US disclosed
US-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY 2007-07-19 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 (1 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-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds IL4, IL2, IL5 PKM 2432/4885ADAMTS5 1965/4885MMP14 3030/4885

“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.