SCHEMBL2466003

SCHEMBL2466003

CS(=O)(=O)c1cc(C(N)=O)c(N)c(C2CCNCC2)c1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.36
PLAT P00750 1/20 0.35
PARP1 P09874 6/20 0.34
IKBKB O14920 2/20 0.34
CHUK O15111 2/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
SLC9A1 P19634 2/20 0.32
PARP2 Q9UGN5 1/20 0.32
PARP3 Q9Y6F1 1/20 0.32
IRAK4 Q9NWZ3 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
SCHEMBL17786111 0.82 PARP1 (0.38) CDC7PLATPARP1IKBKBCHUK
SCHEMBL4446215 0.73 QDPR (0.48) CDC7PLATPARP1IKBKBCHUK
Hydrochloric Acid SCHEMBL4435861 0.72 QDPR (0.47) CDC7PARP1IKBKBCHUKTLR9
SCHEMBL2466388 0.69 SLC9A1 (0.37) IKBKBCHUKSLC9A1
SCHEMBL4560312 0.66 PARP1 (0.38) CDC7PLATPARP1IKBKBCHUK
SCHEMBL28325510 0.66 PARP1 (0.57) CDC7PARP1IKBKBCHUKPARP2
SCHEMBL8498415 0.64 LMNA (0.37) PARP1PARP2
SCHEMBL17786119 0.64 IKBKB (0.47) CDC7PLATPARP1IKBKBCHUK
SCHEMBL6233771 0.63 PARP1 (0.36) CDC7PARP1IKBKBCHUKTLR8
SCHEMBL3809365 0.63 PARP1 (0.51) CDC7PARP1IKBKBCHUKPARP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US claimed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US claimed

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-20090163471-A1 Tropane compounds ADRA1B, ADRA2B, ADRB2 CDC7 4431/4885PLAT 1638/4885PARP1 3161/4885

“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.