SCHEMBL1604295

SCHEMBL1604295

Cc1c(-c2ccnn2-c2ccc(C#N)cc2)cc(C(=O)NCCCCN2CCCC2)c(=O)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.73
CTSK P43235 1/20 0.42
HTR2A P28223 4/20 0.42
DRD2 P14416 4/20 0.42
HTR1A P08908 2/20 0.42
HTR2C P28335 3/20 0.42
SLC6A4 P31645 2/20 0.42
DRD3 P35462 3/20 0.41
ADRA1A P35348 1/20 0.41

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
SCHEMBL1604014 0.98 ELANE (0.74) ELANECTSKHTR2ADRD2HTR1A
SCHEMBL1603837 0.95 ELANE (0.76) ELANECTSK
SCHEMBL14922184 0.90 ELANE (0.80) ELANE
SCHEMBL14922185 0.90 ELANE (0.81) ELANE
SCHEMBL1604290 0.89 ELANE (0.77) ELANE
SCHEMBL1604115 0.89 ELANE (0.72) ELANE
Iodide SCHEMBL1603024 0.89 ELANE (0.76) ELANE
SCHEMBL1603434 0.89 ELANE (0.76) ELANECTSK
SCHEMBL1604898 0.88 ELANE (0.78) ELANE
SCHEMBL1604972 0.88 ELANE (0.73) ELANE

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-8436024-B2 2-pyridone compounds ASTRAZENECA AB (GB) 2013-05-07 US disclosed
US-20110082155-A1 Novel 2-Pyridone Compounds ASTRAZENECA AB (SE) 2011-04-07 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-20110082155-A1 Novel 2-Pyridone Compounds SERPINB1, ELANE, EPX ELANE 2/4885CTSK 124/4885HTR2A 3242/4885

“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.