SCHEMBL204973

SCHEMBL204973

COC(=O)c1cccc(NC(=O)c2ccc(-c3ccncc3)cc2F)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 8/20 0.57
ABCC1 P33527 3/20 0.48
ROCK2 O75116 2/20 0.44
RPS6KA5 O75582 1/20 0.44
RPS6KA4 O75676 1/20 0.44
PRKACA P17612 1/20 0.44
MAPK1 P28482 1/20 0.44
GSK3B P49841 1/20 0.44
PRKX P51817 1/20 0.44
LIMK1 P53667 1/20 0.44
ROCK1 Q13464 1/20 0.44
PRKG1 Q13976 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
NR4A2 P43354 1/20 0.42
ALDH1A1 P00352 4/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
HTT P42858 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
SCHEMBL204987 0.84 AXL (0.45) ALDH1A1PPARGNCOA2NCOA1NCOA3
SCHEMBL207099 0.84 TSHR (0.52) MAPK1CYP1A2CYP2D6TSHRCYP2C19
SCHEMBL204594 0.83 TTK (0.51) ROCK2MAPK1ALDH1A1KDM4EMAPT
SCHEMBL204144 0.79 HSD17B10 (0.54) MAPK1ALDH1A1CYP1A2CYP2D6TSHR
SCHEMBL204780 0.73 MKNK1 (0.54) ABCB1ABCC1NR4A2CYP1A2CYP2D6
SCHEMBL505555 0.73 NPC1 (0.61) MAPK1ALDH1A1CYP1A2CYP2D6TSHR
SCHEMBL204534 0.72 KDM4E (0.55) ABCB1ABCC1ROCK2NR4A2KDM4E
SCHEMBL204732 0.71 KDM4E (0.65) MAPK1ALDH1A1HTTTSHRKDM4E
SCHEMBL4651623 0.70 NR4A2 (0.55) ABCB1ABCC1NR4A2ALDH1A1CYP1A2
SCHEMBL9143243 0.70 CA12 (0.54) NR4A2ALDH1A1PPARGNCOA2NCOA1

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 ABCB1 521/4885ABCC1 1073/4885ROCK2 2120/4885

“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.