SCHEMBL2774795

SCHEMBL2774795

CC(C)[C@H](NC(=O)c1nc2ccccc2nc1O)C(=O)N1CCC(Oc2ncc(N3CCCCC3)cn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.41
CCR1 P32246 10/20 0.40
KMT2A Q03164 2/20 0.40
KCNH2 Q12809 1/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
P2RY12 Q9H244 1/20 0.37
HMOX1 P09601 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
SCHEMBL2775471 0.88 CCR1 (0.44) CCR1KMT2AKCNH2LMNAP2RY12
SCHEMBL2776413 0.88 CCR1 (0.46) CCR1KMT2AKCNH2LMNAP2RY12
SCHEMBL2774572 0.88 CCR1 (0.47) CCR1KMT2AKCNH2
SCHEMBL2777567 0.88 HMOX1 (0.48) ACACBCCR1KMT2AKCNH2LMNA
SCHEMBL2773529 0.88 ACACB (0.41) ACACBCCR1KMT2AKCNH2LMNA
SCHEMBL2774403 0.87 KMT2A (0.43) CCR1KMT2AKCNH2LMNAP2RY12
SCHEMBL2776489 0.86 LIPE (0.44) CCR1KMT2AKCNH2LMNAP2RY12
SCHEMBL2776101 0.85 CCR1 (0.43) CCR1KMT2AKCNH2LMNATSHR
SCHEMBL2776566 0.85 CCR1 (0.41) CCR1KMT2AKCNH2LMNATSHR
SCHEMBL2775929 0.83 KMT2A (0.45) CCR1KMT2AKCNH2LMNATSHR

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 4 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

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 ACACB 3542/4885CCR1 1428/4885KMT2A 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.