SCHEMBL204987

SCHEMBL204987

COC(=O)c1cccc(NC(=O)c2ccc(-c3ccccn3)cc2F)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.45
ALDH1A1 P00352 2/20 0.44
PPARG P37231 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
KDM4E B2RXH2 2/20 0.43
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
LMNA P02545 2/20 0.42
GRM5 P41594 1/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 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
SCHEMBL206378 0.86 MEN1 (0.54) AXLALDH1A1PPARGNCOA2NCOA1
SCHEMBL204973 0.84 ABCB1 (0.57) ALDH1A1PPARGNCOA2NCOA1NCOA3
SCHEMBL206176 0.84 TRPV1 (0.52) ALDH1A1PPARGNCOA2NCOA1NCOA3
SCHEMBL205611 0.83 AXL (0.57) AXLLMNAGRM5MAPTGAA
SCHEMBL31480191 0.75 AXL (0.58) AXLKDM4ELMNAGRM5GAA
SCHEMBL30930601 0.75 AXL (0.61) AXLKDM4EGRM5
SCHEMBL27284650 0.75 AXL (0.61) AXLKDM4EGRM5
SCHEMBL23874992 0.72 AXL (0.58) AXLKDM4ELMNAGRM5TSHR
SCHEMBL30930680 0.72 AXL (0.58) AXLKDM4EGRM5POLBPKM
SCHEMBL27284549 0.72 AXL (0.58) AXLKDM4EGRM5POLBPKM

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
CN-101998959-B Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARM INC 2013-08-28 CN disclosed
US-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US disclosed
CN-101998959-A Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) LEAD THERAPEUTICS INC 2011-03-30 CN 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 AXL 4392/4885ALDH1A1 398/4885PPARG 439/4885

“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.