SCHEMBL561287

SCHEMBL561287

Cc1c(-c2ccnn2C)cc(C(=O)NCC(=N)NO)c(=O)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.65
HTR2A P28223 6/20 0.42
NOTUM Q6P988 1/20 0.41
ATM Q13315 1/20 0.40
HTR2C P28335 3/20 0.40
KCNH2 Q12809 1/20 0.39
CCR1 P32246 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL561598 0.86 ELANE (0.67) ELANEHTR2ANOTUMATMHTR2C
SCHEMBL560968 0.83 ELANE (0.63) ELANEHTR2ANOTUMATMHTR2C
SCHEMBL17378375 0.83 ELANE (0.63) ELANEHTR2ANOTUMATMHTR2C
SCHEMBL18880052 0.82 ELANE (0.62) ELANEHTR2ANOTUMATMHTR2C
SCHEMBL561113 0.82 ELANE (0.67) ELANEHTR2AHTR2CKCNH2CCR1
SCHEMBL31490428 0.82 ELANE (0.67) ELANEHTR2AHTR2CKCNH2CCR1
SCHEMBL17023287 0.82 ELANE (0.65) ELANECCR1
SCHEMBL17023275 0.82 ELANE (0.73) ELANECCR1
SCHEMBL31490080 0.82 ELANE (0.68) ELANEHTR2ANOTUMHTR2CKCNH2
SCHEMBL561159 0.82 ELANE (0.68) ELANEHTR2ANOTUMHTR2CKCNH2

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-20120035157-A1 2-PYRIDONE DERIVATIVES AS NEUTROPHIL ELASTASE INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2012-02-09 US disclosed
US-8063073-B2 2-pyridone derivatives as neutrophil elastase inhibitors and their use ASTRAZENECA AB (SE) 2011-11-22 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-20120035157-A1 2-PYRIDONE DERIVATIVES AS NEUTROPHIL ELASTASE INHIBITORS AND THEIR USE SERPINB1, ELANE, SERPINE1 ELANE 2/4885HTR2A 2929/4885NOTUM 3528/4885

“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.