SCHEMBL2774593

SCHEMBL2774593

CC(C)[C@H](NC(=O)c1nc2ccccc2nc1O)C(=O)N1CCC(Oc2cnccn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.46
CYP2C9 P11712 1/20 0.42
KMT2A Q03164 1/20 0.41
CCR1 P32246 9/20 0.41
NAAA Q02083 1/20 0.40
NAMPT P43490 1/20 0.39
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
P2RY12 Q9H244 1/20 0.38
TSHR P16473 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
SCHEMBL2775937 0.91 EPHX2 (0.44) EPHX2KMT2ACCR1NAMPTKCNH2
SCHEMBL2775312 0.87 ALDH1A1 (0.47) EPHX2KMT2ACCR1KCNH2ALDH1A1
SCHEMBL12789693 0.87 LIPE (0.42) KMT2ACCR1NAMPTKCNH2P2RY12
SCHEMBL2775195 0.86 NAMPT (0.45) KMT2ACCR1NAMPTKCNH2P2RY12
SCHEMBL2775953 0.86 LMNA (0.44) EPHX2CYP2C9KMT2ACCR1NAMPT
SCHEMBL2776566 0.86 CCR1 (0.41) KMT2ACCR1KCNH2ALDH1A1LMNA
SCHEMBL12978138 0.86 NAMPT (0.44) KMT2ACCR1NAMPTKCNH2LMNA
SCHEMBL2774445 0.86 CCR1 (0.47) KMT2ACCR1NAMPTKCNH2
SCHEMBL2774622 0.86 MMP1 (0.49) CCR1NAMPTKCNH2
SCHEMBL2776484 0.85 KMT2A (0.41) KMT2ACCR1KCNH2LMNAP2RY12

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 EPHX2 1544/4885CYP2C9 161/4885KMT2A 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.