SCHEMBL2774880

SCHEMBL2774880

CC(C)[C@H](NC(=O)c1nc2ccccc2nc1O)C(=O)N1CCC(Oc2ccc(F)cc2CO)CC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 11/20 0.44
P2RY12 Q9H244 1/20 0.44
KMT2A Q03164 2/20 0.39
KCNH2 Q12809 1/20 0.37
GPR6 P46095 3/20 0.36
PTGDR Q13258 1/20 0.36

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
SCHEMBL2779943 0.93 CCR1 (0.42) CCR1P2RY12KMT2AKCNH2GPR6
SCHEMBL2776391 0.92 P2RY12 (0.44) CCR1P2RY12KMT2AGPR6
SCHEMBL2776471 0.91 CCR1 (0.45) CCR1P2RY12KMT2A
SCHEMBL2775652 0.90 CCR1 (0.47) CCR1KCNH2GPR6
SCHEMBL2779911 0.90 CCR1 (0.47) CCR1P2RY12KMT2AKCNH2GPR6
SCHEMBL2778814 0.90 CCR1 (0.46) CCR1P2RY12KMT2AKCNH2GPR6
SCHEMBL2776272 0.89 CCR1 (0.45) CCR1P2RY12KMT2AKCNH2GPR6
SCHEMBL12978067 0.89 CCR1 (0.45) CCR1P2RY12KMT2AKCNH2GPR6
SCHEMBL2776171 0.88 CCR1 (0.44) CCR1P2RY12KMT2AKCNH2GPR6
SCHEMBL2775118 0.87 CCR1 (0.47) CCR1P2RY12KMT2AKCNH2

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 1428/4885P2RY12 2053/4885KMT2A 291/4885

“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.