SCHEMBL205308

SCHEMBL205308

NC(=O)c1cccc2nc(-c3cccc(-c4ccncc4)c3)oc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.56
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
CHUK O15111 2/20 0.45
PARP1 P09874 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
CDC7 O00311 9/20 0.42
IKBKB O14920 3/20 0.42
IKBKE Q14164 1/20 0.42
PKMYT1 Q99640 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42
ROCK2 O75116 2/20 0.41
MAP4K4 O95819 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
MKNK2 Q9HBH9 2/20 0.41
PLK4 O00444 1/20 0.41
MAPK13 O15264 1/20 0.41
DYRK3 O43781 1/20 0.41

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
SCHEMBL205922 0.91 DHODH (0.64) DHODHESR1ESR2CHUKPARP1
SCHEMBL205559 0.91 DHODH (0.59) DHODHESR1ESR2CHUKPARP1
SCHEMBL205583 0.88 MKNK1 (0.51) DHODHESR1ESR2PARP1PARP2
SCHEMBL205349 0.84 DHODH (0.53) DHODHESR2PKN1PKN2KDM4E
SCHEMBL206440 0.84 DHODH (0.47) DHODHESR1ESR2CHUKPARP1
SCHEMBL16495358 0.83 DHODH (0.81) DHODHESR1ESR2PARP1IKBKB
SCHEMBL204887 0.83 DHODH (0.76) DHODHESR1ESR2PARP1IKBKB
SCHEMBL16495294 0.82 DHODH (0.64) DHODHESR1ESR2PARP1IKBKB
SCHEMBL205134 0.82 IKBKB (0.56) DHODHESR1ESR2PARP1PARP2
SCHEMBL205848 0.82 DHODH (0.53) DHODHESR1ESR2PARP1PARP2

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 4 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
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
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 2441/4885ESR1 2161/4885ESR2 1492/4885

“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.