SCHEMBL205583

SCHEMBL205583

NC(=O)c1cccc2nc(-c3cccc(-c4cccnc4)c3)oc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 9/20 0.51
MKNK2 Q9HBH9 9/20 0.51
DHODH Q02127 3/20 0.51
IKBKB O14920 1/20 0.49
F2 P00734 1/20 0.47
PARP1 P09874 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
PKN1 Q16512 1/20 0.46
PKN2 Q16513 1/20 0.46
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PIM1 P11309 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL205134 0.93 IKBKB (0.56) MKNK1MKNK2DHODHIKBKBF2
SCHEMBL204513 0.92 DHODH (0.62) MKNK1MKNK2DHODHIKBKBF2
SCHEMBL205308 0.88 DHODH (0.56) MKNK2DHODHIKBKBPARP1PARP2
SCHEMBL203783 0.85 NR4A2 (0.51) DHODHF2ESR2KMT2AALDH1A1
SCHEMBL205559 0.81 DHODH (0.59) MKNK2DHODHPARP1PARP2PKN1
SCHEMBL204887 0.81 DHODH (0.76) DHODHIKBKBPARP1ESR1ESR2
SCHEMBL205848 0.80 DHODH (0.53) DHODHPARP1PARP2ESR1ESR2
SCHEMBL205922 0.79 DHODH (0.64) MKNK2DHODHIKBKBPARP1PARP2
SCHEMBL16495358 0.78 DHODH (0.81) DHODHIKBKBPARP1ESR1ESR2
SCHEMBL16495294 0.78 DHODH (0.64) MKNK2DHODHIKBKBPARP1ESR1

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 MKNK1 2381/4885MKNK2 2145/4885DHODH 2441/4885

“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.