SCHEMBL2773426

SCHEMBL2773426

CCN(c1ccc(F)cc1)C1CCN(C(=O)[C@@H](NC(=O)c2nc3ccccc3nc2O)C(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 13/20 0.49
CACNA1B Q00975 1/20 0.41
KMT2A Q03164 5/20 0.40
P2RY12 Q9H244 1/20 0.39
KCNH2 Q12809 1/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 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
SCHEMBL2774341 0.90 CCR1 (0.52) CCR1KMT2AKCNH2LMNATSHR
SCHEMBL2773563 0.82 CCR1 (0.52) CCR1KMT2AP2RY12KCNH2LMNA
SCHEMBL2774900 0.82 CCR1 (0.55) CCR1KMT2AKCNH2LMNA
SCHEMBL2775990 0.82 CCR1 (0.47) CCR1KMT2AP2RY12KCNH2LMNA
SCHEMBL2774870 0.81 CCR1 (0.52) CCR1KMT2AKCNH2LMNATSHR
SCHEMBL2777378 0.81 CCR1 (0.52) CCR1KMT2AP2RY12KCNH2LMNA
SCHEMBL2774241 0.81 CCR1 (0.52) CCR1KMT2AKCNH2LMNATSHR
SCHEMBL2777112 0.81 CCR1 (0.52) CCR1CACNA1BKMT2AKCNH2LMNA
SCHEMBL2779075 0.80 CCR1 (0.53) CCR1KMT2AKCNH2LMNATSHR
SCHEMBL2774278 0.80 CCR1 (0.51) CCR1KMT2AP2RY12KCNH2LMNA

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 1428/4885CACNA1B 1439/4885KMT2A 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.