SCHEMBL2774656

SCHEMBL2774656

C[C@H](NC(=O)c1nc2ccccc2nc1O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.45
FPR2 P25090 1/20 0.44
GPR119 Q8TDV5 1/20 0.44
NAMPT P43490 3/20 0.42
SRD5A1 P18405 1/20 0.41
EPHX2 P34913 1/20 0.40
PRKAA2 P54646 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PRKAB2 O43741 1/20 0.39
CYP3A4 P08684 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
HRH1 P35367 1/20 0.39
CCR3 P51677 1/20 0.39

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
SCHEMBL2775137 0.91 HRH3 (0.44) HRH3FPR2GPR119NAMPTSRD5A1
SCHEMBL2775277 0.90 GPR119 (0.42) HRH3FPR2GPR119SRD5A1EPHX2
SCHEMBL12847133 0.89 NAMPT (0.44) HRH3NAMPTSRD5A1ALDH1A1
SCHEMBL2774038 0.89 HRH3 (0.45) HRH3FPR2GPR119NAMPTSRD5A1
SCHEMBL2776670 0.89 GPR119 (0.47) HRH3FPR2GPR119NAMPTSRD5A1
SCHEMBL2775515 0.88 EPHX2 (0.44) HRH3NAMPTSRD5A1EPHX2ALDH1A1
SCHEMBL2773530 0.88 LMNA (0.44) HRH3NAMPTSRD5A1EPHX2ALDH1A1
SCHEMBL2788699 0.86 MMP2 (0.43) NAMPTSRD5A1EPHX2ALDH1A1
SCHEMBL2773756 0.86 MMP2 (0.43) NAMPTSRD5A1EPHX2ALDH1A1
SCHEMBL2775592 0.84 HRH3 (0.42) HRH3NAMPTSRD5A1ALDH1A1HRH1

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 5 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 claimed
EP-2258697-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-12-08 EP claimed
US-20110053933-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-03 US disclosed
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 HRH3 14/4885FPR2 2055/4885GPR119 1336/4885

“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.