SCHEMBL4559639

SCHEMBL4559639

NC(=O)c1c(Oc2c(F)c(F)c(F)c(F)c2F)nc(N)nc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.39
XDH P47989 1/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
ADORA1 P30542 9/20 0.37
CDC7 O00311 2/20 0.37
SCN9A Q15858 1/20 0.37
NUDT1 P36639 1/20 0.37
POLB P06746 1/20 0.36
DHODH Q02127 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ADORA2B P29275 1/20 0.35

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
SCHEMBL4559145 0.84 ADORA2A (0.56) ADORA2AMEN1GAAKMT2AADORA1
SCHEMBL4559176 0.79 SIRT2 (0.45) ADORA2AMEN1GAAKMT2AADORA1
SCHEMBL5686383 0.78 BTK (0.41) ADORA2AMEN1GAAKMT2AADORA1
SCHEMBL16465331 0.78 GAA (0.45) ADORA2AMEN1GAAKMT2AADORA1
SCHEMBL5686147 0.75 MGMT (0.45) ADORA2AADORA1KDM4EALDH1A1
SCHEMBL5686125 0.75 PARP10 (0.50) ADORA2AGAA
SCHEMBL5689008 0.75 LMNA (0.43) ADORA2AMEN1GAAKMT2AADORA1
SCHEMBL28145391 0.72 ADORA2A (0.59) ADORA2AXDHADORA1SCN9ANUDT1
SCHEMBL4559387 0.71 LMNA (0.45) ADORA2ASCN9APOLBALDH1A1
SCHEMBL16465321 0.69 KMT2A (0.45) XDHMEN1GAAKMT2ACDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504396-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 US 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-20050209221-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 ADORA2A 1722/4885XDH 1047/4885MEN1 134/4885

“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.