SCHEMBL205228

SCHEMBL205228

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.47
AXL P30530 1/20 0.43
ESR2 Q92731 1/20 0.43
DHODH Q02127 3/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA3 P34903 1/20 0.41
GRM5 P41594 1/20 0.40
MET P08581 1/20 0.40
HDAC6 Q9UBN7 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
KDM4E B2RXH2 2/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39

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
SCHEMBL205609 0.87 DHODH (0.45) ESR2DHODHNPC1RAB9AGRM5
SCHEMBL205526 0.86 CETP (0.52) CETPAXLESR2DHODHNPC1
SCHEMBL204526 0.86 CETP (0.58) CETPAXLESR2DHODHNPC1
SCHEMBL205159 0.85 CETP (0.45) CETPESR2DHODHNPC1RAB9A
SCHEMBL205611 0.76 AXL (0.57) AXLNPC1RAB9AGABRG2GABRB3
SCHEMBL2957208 0.76 CETP (0.60) CETPESR2DHODHNPC1RAB9A
SCHEMBL2388598 0.74 CETP (0.47) CETPESR2DHODHMETKDM4E
SCHEMBL9126988 0.74 DHODH (0.70) CETPESR2DHODHNPC1RAB9A
SCHEMBL5620312 0.73 TOP2A (0.63) CETPESR2DHODHNPC1RAB9A
SCHEMBL204097 0.72 DHODH (0.60) CETPAXLESR2DHODHNPC1

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 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 CETP 2602/4885AXL 4392/4885ESR2 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.