SCHEMBL205783

SCHEMBL205783

NC(=O)c1cccc2oc(-c3cccnc3)nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.56
PKN1 Q16512 1/20 0.55
PKN2 Q16513 1/20 0.55
ALDH1A1 P00352 3/20 0.52
HSD17B10 Q99714 3/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
PARP1 P09874 3/20 0.52
DHODH Q02127 1/20 0.52
PARP2 Q9UGN5 1/20 0.52
KDM4E B2RXH2 5/20 0.46
TOP2A P11388 1/20 0.46
MKNK1 Q9BUB5 5/20 0.46
MKNK2 Q9HBH9 4/20 0.46
PTK2B Q14289 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
CYP1A2 P05177 2/20 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
SCHEMBL3781416 0.94 PARP1 (0.58) IKBKBPKN1PKN2ALDH1A1HSD17B10
SCHEMBL122514 0.89 ALDH1A1 (0.55) IKBKBALDH1A1HSD17B10MEN1KMT2A
SCHEMBL205891 0.86 ALDH1A1 (0.51) IKBKBALDH1A1HSD17B10MEN1KMT2A
SCHEMBL206244 0.85 PKN1 (0.52) PKN1PKN2ALDH1A1HSD17B10PARP1
SCHEMBL204764 0.85 TOP2A (0.61) IKBKBALDH1A1HSD17B10PARP1DHODH
SCHEMBL28246474 0.85 IKBKB (0.54) IKBKBPKN1PKN2ALDH1A1HSD17B10
SCHEMBL3710917 0.82 TOP2A (0.58) IKBKBALDH1A1HSD17B10PARP1DHODH
SCHEMBL206178 0.80 PARP1 (0.54) IKBKBALDH1A1HSD17B10MEN1KMT2A
SCHEMBL206525 0.80 PARP1 (0.52) IKBKBALDH1A1MEN1KMT2APARP1
SCHEMBL205134 0.79 IKBKB (0.56) IKBKBPKN1PKN2ALDH1A1HSD17B10

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 6 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
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 IKBKB 590/4885PKN1 1081/4885PKN2 901/4885

“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.