SCHEMBL2777503

SCHEMBL2777503

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

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 8/20 0.47
NAMPT P43490 4/20 0.42
MMP1 P03956 1/20 0.41
LIPE Q05469 5/20 0.40
PYGL P06737 1/20 0.37
CYP51A1 Q16850 1/20 0.37

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
SCHEMBL2776036 0.90 NAMPT (0.44) CCR1NAMPTLIPECYP51A1
SCHEMBL2773480 0.89 NAMPT (0.47) CCR1NAMPTMMP1LIPE
SCHEMBL2776415 0.89 LIPE (0.53) CCR1NAMPTLIPE
SCHEMBL2774490 0.88 CCR1 (0.52) CCR1NAMPT
SCHEMBL2774622 0.88 MMP1 (0.49) CCR1NAMPTMMP1
SCHEMBL2776026 0.87 NAMPT (0.42) CCR1NAMPTMMP1LIPE
SCHEMBL2775343 0.87 CCR1 (0.47) CCR1NAMPTMMP1LIPE
SCHEMBL12977930 0.82 NAMPT (0.43) CCR1NAMPT
SCHEMBL2777374 0.81 LMNA (0.44) CCR1CYP51A1
SCHEMBL2773777 0.81 NAMPT (0.43) CCR1NAMPTCYP51A1

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 CCR1 1428/4885NAMPT 1696/4885MMP1 3877/4885

“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.