SCHEMBL2742299

SCHEMBL2742299

[C-]#[N+]C1=C(C)Nc2nc(N3C(=O)c4ccccc4C3=O)nn2C1c1ccc(C#N)cc1S(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 18/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
CYP2C19 P33261 1/20 0.33

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
SCHEMBL231852 0.88 SMN1; SMN2 (0.43) ELANESMN1; SMN2ALDH1A1GAACYP2C19
SCHEMBL2742294 0.85 SMN1; SMN2 (0.48) ELANESMN1; SMN2ALDH1A1GAACYP2C19
SCHEMBL2742306 0.83 ELANE (0.43) ELANE
SCHEMBL2742317 0.78 ELANE (0.62) ELANECYP2C19
SCHEMBL2742315 0.78 ELANE (0.62) ELANECYP2C19
SCHEMBL230888 0.74 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1GAA
SCHEMBL231776 0.70 ELANE (0.40) ELANECYP2C19
SCHEMBL231063 0.70 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1GAA
SCHEMBL230772 0.69 ELANE (0.64) ELANECYP2C19
SCHEMBL230879 0.69 ELANE (0.64) ELANECYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359362-B2 Triazolo and tetrazolo pyrimidine derivatives as HNE inhibitors for treating COPD BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-07 US disclosed
US-20140038988-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-06 US disclosed
US-8569314-B2 Triazolo and tetrazolo pyrimidine derivatives as HNE inhibitors for treating COPD BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-29 US disclosed
US-20120004203-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-05 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 (2 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-20140038988-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD KEAP1, NOX4, NOX5 ELANE 337/4885SMN1; SMN2 4294/4885ALDH1A1 197/4885
US-20120004203-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD KEAP1, NOX4, NOX5 ELANE 337/4885SMN1; SMN2 4294/4885ALDH1A1 197/4885

“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.