SCHEMBL8244751

SCHEMBL8244751

COc1cccc(-n2cc(NC(=O)OC(C)(C)C)c(N)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
RIPK2 O43353 1/20 0.43
LMNA P02545 1/20 0.42
MAPK14 Q16539 2/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PIK3CD O00329 1/20 0.40
ABL1 P00519 1/20 0.40
EGFR P00533 1/20 0.40
KDR P35968 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CG P48736 1/20 0.40

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
SCHEMBL8241611 0.89 BRD9 (0.42) ADORA2AADORA1ADORA3RIPK2LMNA
SCHEMBL8174448 0.88 PARP1 (0.42) HSD17B10ADORA3LMNARAB9ASMN1; SMN2
SCHEMBL12291141 0.87 MAPKAPK2 (0.49) L3MBTL1ADORA2AADORA1ADORA3PIK3CD
SCHEMBL8241599 0.87 GRM5 (0.42) L3MBTL1ADORA2AADORA3LMNAMAPK14
SCHEMBL1754340 0.86 HDAC1 (0.49) L3MBTL1LMNARAB9ASMN1; SMN2TP53
SCHEMBL14312276 0.85 ADORA1 (0.50) HSD17B10ADORA2AADORA1ADORA3LMNA
SCHEMBL8241820 0.85 RXFP1 (0.50) ADORA3MAPK14SMN1; SMN2NOTUM
SCHEMBL12291158 0.84 KDM4E (0.43) RIPK2LMNAMAPK14MAPK13MAPK12
SCHEMBL8242177 0.80 BRD9 (0.37) ADORA3PIK3CDABL1EGFRKDR
SCHEMBL8241596 0.80 BRD9 (0.39) PIK3CDABL1EGFRKDRPIK3CA

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
EP-1945617-B1 HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS MERCK SHARP & DOHME (US) 2012-12-26 EP disclosed
US-8026260-B2 Histone deacetylase inhibitors with aryl-pyrazolyl-motifs MERCK SHARP & DOHME CORP. (US) 2011-09-27 US disclosed
US-20090291965-A1 Histone Deacetylase Inhibitors With Aryl-Pyrazolyl-Motifs MERCK SHARP & DOHME LLC 2009-11-26 US disclosed
WO-2007055941-A2 HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS MERCK & CO., INC. (US) 2007-05-18 WO 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-20090291965-A1 Histone Deacetylase Inhibitors With Aryl-Pyrazolyl-Motifs HDAC1, HDAC3, HDAC5 GFER 4590/4885HSD17B10 718/4885L3MBTL1 1040/4885

“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.