SCHEMBL1604014

SCHEMBL1604014

Cc1c(-c2ccnn2-c2ccc(C#N)cc2)cc(C(=O)NCCCN2CCCC2)c(=O)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.74
HTR2A P28223 3/20 0.44
HTR2C P28335 2/20 0.44
SLC6A4 P31645 2/20 0.44
CTSK P43235 2/20 0.43
SMYD2 Q9NRG4 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
HTR1A P08908 1/20 0.41
DRD2 P14416 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
SCHEMBL1604295 0.98 ELANE (0.73) ELANEHTR2AHTR2CSLC6A4CTSK
SCHEMBL1603837 0.96 ELANE (0.76) ELANECTSK
SCHEMBL14922185 0.90 ELANE (0.81) ELANE
SCHEMBL14922184 0.90 ELANE (0.80) ELANE
SCHEMBL1604898 0.89 ELANE (0.78) ELANE
SCHEMBL1604972 0.89 ELANE (0.73) ELANE
SCHEMBL1604290 0.88 ELANE (0.77) ELANE
Bromide SCHEMBL1603849 0.88 ELANE (0.77) ELANE
SCHEMBL1604172 0.88 ELANE (0.77) ELANECTSK
SCHEMBL27872087 0.88 ELANE (0.82) 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 2/4885HTR2A 3242/4885HTR2C 3343/4885

“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.