SCHEMBL10330552

SCHEMBL10330552

Cc1cc(NC(=O)OC(C)(C)C)c(C(=O)OC(C)(C)C)cn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.41
JUN P05412 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
DGAT1 O75907 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
METAP1 P53582 1/20 0.37
MAP4K4 O95819 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
AAK1 Q2M2I8 2/20 0.36
LCK P06239 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
CYP17A1 P05093 1/20 0.35

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
SCHEMBL12931891 0.86 ATR (0.47) ATRJUNNFKB1NFKB2RELA
SCHEMBL17592970 0.84 AAK1 (0.40) ATRBRD9DGAT1METAP1MAPKAPK2
SCHEMBL2772617 0.82 ATR (0.49) ATRBRD9DGAT1RXFP1METAP1
SCHEMBL14923617 0.81 CYP17A1 (0.43) ATRBRD9DGAT1RXFP1METAP1
SCHEMBL22425762 0.81 MAPKAPK2 (0.40) ATRBRD9DGAT1METAP1MAP4K4
SCHEMBL29956827 0.80 ATR (0.39) ATRBRD9DGAT1METAP1MAP4K4
SCHEMBL29955405 0.80 BRD9 (0.38) ATRBRD9DGAT1RXFP1METAP1
SCHEMBL18624699 0.80 ALDH1A1 (0.40) ATRBRD9DGAT1MEN1KMT2A
SCHEMBL12097975 0.78 BRD9 (0.39) ATRBRD9DGAT1METAP1MAPKAPK2
SCHEMBL22497793 0.78 ALDH1A1 (0.46) ATRJUNNFKB1NFKB2RELA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722692-B2 Compounds and compositions as Syk kinase inhibitors IRM LLC (BM) 2014-05-13 US disclosed
US-20120184526-A1 COMPOUNDS AND COMPOSITIONS AS SYK KINASE INHIBITORS IRM LLC (BM) 2012-07-19 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-20120184526-A1 COMPOUNDS AND COMPOSITIONS AS SYK KINASE INHIBITORS SYK, BTK, LYN ATR 526/4885JUN 1409/4885NFKB1 275/4885

“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.