SCHEMBL12845991

SCHEMBL12845991

O=C1NC(=O)c2c1c1c(c3[nH]c4cccc(OCCN5CCOCC5)c4c23)CCC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 10/20 0.52
▸ BRD4 O60885 1/20 0.49
▸ PARP2 Q9UGN5 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.43
▸ CHEK1 O14757 1/20 0.41
▸ WEE1 P30291 1/20 0.41
▸ MAOB P27338 1/20 0.40
▸ MAPKAPK2 P49137 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL12845916 0.82 PARP1 (0.56) PARP1PARP2
SCHEMBL14980891 0.81 PARP1 (0.54) PARP1PARP2CHEK1WEE1
SCHEMBL12846276 0.81 PARP1 (0.55) PARP1PARP2
SCHEMBL12846159 0.81 PARP1 (0.54) PARP1PARP2
SCHEMBL12846158 0.80 PARP1 (0.58) PARP1PARP2CHEK1
SCHEMBL12845908 0.79 PARP1 (0.52) PARP1PARP2
SCHEMBL12846277 0.78 PARP1 (0.51) PARP1PARP2KDM4E
SCHEMBL14346572 0.78 PARP1 (0.51) PARP1PARP2
SCHEMBL30230221 0.77 PARP1 (0.62) PARP1PARP2CHEK1
SCHEMBL3361947 0.77 PARP1 (0.62) PARP1PARP2CHEK1

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-20110059959-A1 NOVEL MULTICYCLIC COMPOUNDS AND THE USE THEREOF CEPHALON, INC. (US) 2011-03-10 — — US disclosed
WO-2007149451-A2 CYCLOALKANOPYRROLOCARBAZOLE DERIVATIVES AND THE USE THEREOF AS PARP, VEGFR2 AND MLK3 INHIBITORS CEPHALON, INC. (US) 2007-12-27 — — WO 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-20110059959-A1 NOVEL MULTICYCLIC COMPOUNDS AND THE USE THEREOF MLKL, PARP3, PARP1 PARP1 3/4885BRD4 502/4885PARP2 5/4885

“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.

Send feedback