SCHEMBL205609

SCHEMBL205609

NC(=O)c1cccc2nc(-c3ccc(-c4ccccn4)cc3F)oc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.45
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
GRM5 P41594 2/20 0.43
PARP1 P09874 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
MET P08581 3/20 0.42
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SQOR Q9Y6N5 1/20 0.39
GRK5 P34947 2/20 0.38
CHEK2 O96017 2/20 0.38
BTK Q06187 1/20 0.38
FLT3 P36888 1/20 0.38

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
SCHEMBL205228 0.87 CETP (0.47) DHODHGRM5METESR2NPC1
SCHEMBL205848 0.85 DHODH (0.53) DHODHGRM5PARP1PARP2MET
SCHEMBL205794 0.85 DHODH (0.59) DHODHGRM5PARP1PARP2ESR1
SCHEMBL206440 0.84 DHODH (0.47) DHODHALOX5APFEN1PARP1PARP2
SCHEMBL16495358 0.72 DHODH (0.81) DHODHPARP1ESR1ESR2NPC1
SCHEMBL204887 0.72 DHODH (0.76) DHODHPARP1ESR1ESR2NPC1
SCHEMBL17239450 0.72 KAT6A (0.57) DHODHALOX5APFEN1GRM5PARP1
SCHEMBL205511 0.72 MAP4K4 (0.49) PARP1PARP2METFLT3
SCHEMBL205526 0.72 CETP (0.52) DHODHGRM5ESR2NPC1RAB9A
SCHEMBL205159 0.71 CETP (0.45) DHODHESR2NPC1RAB9AHDAC6

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 8 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 claimed
EP-2247600-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Lead Therapeutics, Inc. (US) 2010-11-10 EP claimed
WO-2009099736-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-13 WO claimed
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-06 US claimed
US-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US disclosed
EP-2247600-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Lead Therapeutics, Inc. (US) 2010-11-10 EP disclosed
WO-2009099736-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-13 WO 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 DHODH 2441/4885ALOX5AP 1681/4885FEN1 156/4885

“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.