SCHEMBL206153

SCHEMBL206153

COC(=O)c1cccc2nc(-c3ccc(C4CCCN4)cc3F)oc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 0.50
PARP2 Q9UGN5 5/20 0.50
MAP4K4 O95819 2/20 0.47
CSF1R P07333 2/20 0.47
PIM1 P11309 2/20 0.47
CLK2 P49760 2/20 0.47
MAP4K2 Q12851 2/20 0.47
DYRK1A Q13627 2/20 0.47
MINK1 Q8N4C8 2/20 0.47
AURKB Q96GD4 2/20 0.47
MAP4K5 Q9Y4K4 2/20 0.47
HTR3A P46098 3/20 0.38
CETP P11597 1/20 0.38
KCNH2 Q12809 1/20 0.38
DYRK3 O43781 1/20 0.36
PRKD3 O94806 1/20 0.36
INSR P06213 1/20 0.36
IRAK1 P51617 1/20 0.36
PRKCD Q05655 1/20 0.36
MELK Q14680 1/20 0.36

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
SCHEMBL204105 0.90 PARP1 (0.54) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL207414 0.88 PARP1 (0.61) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL205447 0.85 PARP1 (0.62) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL205159 0.74 CETP (0.45) HTR3ACETPESR2KDM4EALDH1A1
SCHEMBL205511 0.73 MAP4K4 (0.49) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL17782195 0.73 PARP1 (0.46) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL17782196 0.73 PARP1 (0.46) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL205228 0.72 CETP (0.47) CETPESR2KDM4EALDH1A1
SCHEMBL16540884 0.70 PARP1 (0.73) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL29696023 0.70 PARP1 (0.73) PARP1PARP2MAP4K4CSF1RPIM1

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-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US disclosed
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-06 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-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 PARP1 1/4885PARP2 2/4885MAP4K4 2149/4885

“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.