SCHEMBL2773958

SCHEMBL2773958

COc1ccc2sc(SC3CCN(C(=O)OC(C)(C)C)CC3)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.58
PPARA Q07869 4/20 0.53
HTT P42858 2/20 0.48
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
STS P08842 2/20 0.47
KDM4E B2RXH2 3/20 0.45
HPGD P15428 3/20 0.45
TSHR P16473 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
HSD17B10 Q99714 1/20 0.45
EPHX2 P34913 1/20 0.44
GPR119 Q8TDV5 1/20 0.44
CTSD P07339 1/20 0.43
CTSE P14091 1/20 0.43
BACE1 P56817 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
PIK3CA P42336 1/20 0.42

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
SCHEMBL2774177 0.88 PPARA (0.55) DYRK1APPARAHTTALDH1A1MEN1
SCHEMBL4768370 0.84 GPR119 (0.55) HTTALDH1A1MEN1KMT2AKDM4E
SCHEMBL2775946 0.83 PPARA (0.45) DYRK1APPARAALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL2775097 0.81 PPARA (0.50) DYRK1APPARAALDH1A1HPGDCTSD
SCHEMBL6518766 0.80 PPARA (0.47) DYRK1APPARAALDH1A1CTSDNPC1
SCHEMBL2775713 0.79 PPARA (0.50) DYRK1APPARAALDH1A1KMT2ACTSD
SCHEMBL22324946 0.76 ALDH1A1 (0.64) HTTALDH1A1MEN1KMT2ASTS
SCHEMBL22324973 0.74 MEN1 (0.54) HTTALDH1A1MEN1KMT2ASTS
SCHEMBL30416554 0.74 DYRK1A (1.00) DYRK1AALDH1A1
SCHEMBL20068762 0.74 DYRK1A (1.00) DYRK1AALDH1A1

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-20110053933-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-03 US disclosed
EP-2258697-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-12-08 EP 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-20110053933-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE F12, F2, C3AR1 DYRK1A 1984/4885PPARA 2138/4885HTT 2325/4885

“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.