SCHEMBL2774900

SCHEMBL2774900

CC(C)[C@H](NC(=O)c1nc2ccccc2nc1O)C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 7/20 0.55
HSD11B1 P28845 6/20 0.46
F2 P00734 1/20 0.45
F10 P00742 1/20 0.45
PRSS1 P07477 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KCNH2 Q12809 1/20 0.43
HTR1F P30939 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2777860 0.88 CCR1 (0.47) CCR1KCNH2LMNAKMT2A
SCHEMBL2777041 0.88 CCR1 (0.47) CCR1KCNH2LMNAKMT2A
SCHEMBL2773563 0.85 CCR1 (0.52) CCR1CYP3A4KCNH2LMNAKMT2A
SCHEMBL2777378 0.85 CCR1 (0.52) CCR1KCNH2LMNAKMT2A
SCHEMBL2774241 0.85 CCR1 (0.52) CCR1KCNH2LMNAKMT2A
SCHEMBL2774870 0.85 CCR1 (0.52) CCR1KCNH2LMNAKMT2A
SCHEMBL2774341 0.85 CCR1 (0.52) CCR1KCNH2LMNAKMT2A
SCHEMBL2774278 0.84 CCR1 (0.51) CCR1KCNH2LMNAKMT2A
SCHEMBL2779075 0.84 CCR1 (0.53) CCR1KCNH2LMNAKMT2A
SCHEMBL12977881 0.83 KMT2A (0.49) CCR1KCNH2KMT2A

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 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 1428/4885HSD11B1 861/4885F2 2/4885

“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.