SCHEMBL2774445

SCHEMBL2774445

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

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 8/20 0.47
NAMPT P43490 5/20 0.46
LIPE Q05469 4/20 0.42
KMT2A Q03164 1/20 0.40
KCNH2 Q12809 1/20 0.39
MMP1 P03956 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
SCHEMBL2775000 0.92 NAMPT (0.49) NAMPTLIPE
SCHEMBL2775195 0.91 NAMPT (0.45) CCR1NAMPTLIPEKMT2AKCNH2
SCHEMBL2776413 0.91 CCR1 (0.46) CCR1KMT2AKCNH2
SCHEMBL2776521 0.90 LIPE (0.54) CCR1NAMPTLIPEKMT2A
SCHEMBL12978138 0.90 NAMPT (0.44) CCR1NAMPTLIPEKMT2AKCNH2
SCHEMBL2774622 0.90 MMP1 (0.49) CCR1NAMPTKCNH2MMP1
SCHEMBL2775025 0.89 NAMPT (0.44) CCR1NAMPTLIPE
SCHEMBL12977868 0.89 NAMPT (0.44) NAMPTLIPE
SCHEMBL2775306 0.88 NAMPT (0.43) NAMPTLIPE
SCHEMBL2774241 0.88 CCR1 (0.52) CCR1NAMPTKMT2AKCNH2

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 CCR1 1428/4885NAMPT 1696/4885LIPE 4566/4885

“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.