SCHEMBL2775306

SCHEMBL2775306

O=C(N[C@H](C(=O)N1CCC(Oc2ccc(F)cn2)CC1)C1CC1)c1nc2ccccc2nc1O

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 13/20 0.43
LIPE Q05469 5/20 0.41
ALDH1A1 P00352 1/20 0.35
CYP2C9 P11712 1/20 0.35
EPHX2 P34913 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
SCHEMBL12977868 0.90 NAMPT (0.44) NAMPTLIPECYP2C9EPHX2
SCHEMBL2776389 0.90 LIPE (0.53) NAMPTLIPEEPHX2
SCHEMBL2775000 0.90 NAMPT (0.49) NAMPTLIPE
SCHEMBL2776026 0.90 NAMPT (0.42) NAMPTLIPE
SCHEMBL2774445 0.88 CCR1 (0.47) NAMPTLIPE
SCHEMBL2774667 0.88 SRD5A1 (0.43) NAMPTALDH1A1EPHX2
SCHEMBL2775025 0.87 NAMPT (0.44) NAMPTLIPE
SCHEMBL2776036 0.87 NAMPT (0.44) NAMPTLIPE
SCHEMBL2776041 0.86 THRB (0.40) ALDH1A1
SCHEMBL2774704 0.84 GPR6 (0.42)

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 6 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
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 NAMPT 1696/4885LIPE 4566/4885ALDH1A1 655/4885

“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.