SCHEMBL2774622

SCHEMBL2774622

CC(C)[C@H](NC(=O)c1nc2ccccc2nc1O)C(=O)N1CCC(Oc2ccc(Cl)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.49
CCR1 P32246 17/20 0.47
KCNH2 Q12809 1/20 0.47
NAMPT P43490 2/20 0.44

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
SCHEMBL2773480 0.92 NAMPT (0.47) MMP1CCR1NAMPT
SCHEMBL13205343 0.91 MMP1 (0.46) MMP1CCR1KCNH2NAMPT
SCHEMBL2775195 0.91 NAMPT (0.45) MMP1CCR1KCNH2NAMPT
SCHEMBL2774572 0.91 CCR1 (0.47) CCR1KCNH2
SCHEMBL2774445 0.90 CCR1 (0.47) MMP1CCR1KCNH2NAMPT
SCHEMBL12978138 0.90 NAMPT (0.44) MMP1CCR1KCNH2NAMPT
SCHEMBL2775343 0.89 CCR1 (0.47) MMP1CCR1NAMPT
SCHEMBL2776521 0.89 LIPE (0.54) CCR1NAMPT
SCHEMBL2776026 0.88 NAMPT (0.42) MMP1CCR1NAMPT
SCHEMBL2775937 0.88 EPHX2 (0.44) CCR1KCNH2NAMPT

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 7 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
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 MMP1 3877/4885CCR1 1428/4885KCNH2 357/4885

“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.