SCHEMBL4280903

SCHEMBL4280903

N#Cc1ccccc1-c1ccc(C(=O)NCc2ccccn2)c(NCCc2cccc(F)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.52
ADORA1 P30542 5/20 0.52
KDM4E B2RXH2 3/20 0.46
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
RPS6KB1 P23443 2/20 0.39
HPGD P15428 1/20 0.39
F2 P00734 1/20 0.39
ALDH1A1 P00352 2/20 0.38
AKT1 P31749 1/20 0.38
SORT1 Q99523 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
SCHEMBL12725244 0.94 KDM4E (0.44) ADORA2AADORA1KDM4EKMT2AMEN1
SCHEMBL12725028 0.92 ADORA2A (0.43) ADORA2AADORA1KDM4EKMT2AMEN1
SCHEMBL1631799 0.91 ADORA2A (0.44) ADORA2AADORA1KDM4EKMT2AMEN1
SCHEMBL1630415 0.91 ADORA2A (0.41) ADORA2AADORA1KDM4EKMT2AMEN1
SCHEMBL12725389 0.91 ADORA2A (0.41) ADORA2AADORA1KDM4EKMT2AMEN1
SCHEMBL1631073 0.90 ADORA2A (0.42) ADORA2AADORA1KDM4EKMT2AMEN1
SCHEMBL4966585 0.90 MEN1 (0.41) ADORA2AADORA1KDM4EKMT2AMEN1
SCHEMBL1629641 0.89 ADORA2A (0.44) ADORA2AADORA1KDM4EKMT2AMEN1
SCHEMBL1632418 0.89 ADORA2A (0.41) ADORA2AADORA1KDM4EKMT2AMEN1
SCHEMBL1630181 0.89 ADORA2A (0.41) ADORA2AADORA1KDM4EKMT2AMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 US disclosed
US-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 US disclosed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 US disclosed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 US disclosed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 US disclosed
WO-2008016643-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO 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-20090012126-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 ADORA2A 2369/4885ADORA1 2532/4885KDM4E 3309/4885

“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.