SCHEMBL205559

SCHEMBL205559

NC(=O)c1cccc2nc(-c3ccncc3)oc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.59
ESR2 Q92731 2/20 0.52
ESR1 P03372 1/20 0.52
PLK4 O00444 1/20 0.46
MAPK13 O15264 1/20 0.46
DYRK3 O43781 1/20 0.46
ROCK2 O75116 1/20 0.46
RPS6KA5 O75582 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
CHEK2 O96017 1/20 0.46
PIM1 P11309 1/20 0.46
PHKG2 P15735 1/20 0.46
PRKACA P17612 1/20 0.46
RPS6KB1 P23443 1/20 0.46
CSNK1D P48730 1/20 0.46
CLK2 P49760 1/20 0.46
GSK3A P49840 1/20 0.46
PRKX P51817 1/20 0.46
PRKCZ Q05513 1/20 0.46

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 0.97 DHODH (0.64) DHODHESR2ESR1PLK4MAPK13
SCHEMBL205308 0.91 DHODH (0.56) DHODHESR2ESR1PLK4MAPK13
SCHEMBL204887 0.88 DHODH (0.76) DHODHESR2ESR1PARP1KDM4E
SCHEMBL5109570 0.88 DHODH (0.76) DHODHESR2ESR1KDM4EALDH1A1
SCHEMBL16495358 0.86 DHODH (0.81) DHODHESR2ESR1PARP1KDM4E
SCHEMBL205134 0.85 IKBKB (0.56) DHODHESR2ESR1PKN1PKN2
SCHEMBL3703337 0.84 DHODH (0.62) DHODHESR2ESR1KDM4EALDH1A1
SCHEMBL204513 0.84 DHODH (0.62) DHODHESR2ESR1PKN1PKN2
SCHEMBL204884 0.82 CETP (0.56) DHODHESR2PKN1PKN2KDM4E
SCHEMBL206440 0.82 DHODH (0.47) DHODHESR2ESR1DYRK3ROCK2

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 2441/4885ESR2 1492/4885ESR1 2161/4885

“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.