SCHEMBL2775946

SCHEMBL2775946

COc1ccc2sc(SC3CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC3)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.45
DYRK1A Q13627 4/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
ATM Q13315 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
BRD4 O60885 1/20 0.40
CCR1 P32246 1/20 0.40
HRH2 P25021 2/20 0.40
HRH1 P35367 2/20 0.40
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL2775713 0.90 PPARA (0.50) PPARADYRK1AKMT2AATMALDH1A1
SCHEMBL2773958 0.83 DYRK1A (0.58) PPARADYRK1AKMT2AMEN1ALDH1A1
SCHEMBL2774687 0.83 CCR1 (0.45) PPARADYRK1AKMT2AMEN1ATM
Hydrochloric Acid SCHEMBL2775097 0.82 PPARA (0.50) PPARADYRK1AALDH1A1LMNANPC1
SCHEMBL6518766 0.80 PPARA (0.47) PPARADYRK1AATMALDH1A1LMNA
SCHEMBL2774177 0.79 PPARA (0.55) PPARADYRK1AKMT2AMEN1ATM
SCHEMBL12789618 0.72 CCR1 (0.47) KMT2AALDH1A1LMNACCR1NPC1
SCHEMBL4768370 0.69 GPR119 (0.55) KMT2AMEN1ALDH1A1LMNANPC1
SCHEMBL9102898 0.69 KMT2A (0.53) KMT2AMEN1ALDH1A1LMNACCR1
SCHEMBL9102890 0.69 KMT2A (0.53) KMT2AMEN1ALDH1A1LMNACCR1

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 PPARA 2138/4885DYRK1A 1984/4885KMT2A 291/4885

“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.