SCHEMBL2742293

SCHEMBL2742293

[C-]#[N+]C(=Cc1ccc(C#N)cc1S(C)(=O)=O)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RAD51 Q06609 2/20 0.41
▸ DYRK1A Q13627 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ ELANE P08246 3/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ ALB P02768 1/20 0.31
▸ PIN1 Q13526 1/20 0.31
▸ TBXA2R P21731 4/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ TRPV4 Q9HBA0 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL230721 0.81 RAD51 (0.43) RAD51DYRK1AELANEALBTBXA2R
SCHEMBL230720 0.81 RAD51 (0.43) RAD51DYRK1AELANEALBTBXA2R
SCHEMBL2742296 0.74 FBP1 (0.50) L3MBTL1
SCHEMBL122510 0.73 RAD51 (0.53) RAD51ELANETRPV4
SCHEMBL232368 0.68 RAD51 (0.54) RAD51CYP11B1CYP11B2SCN9ATRPV4
SCHEMBL121887 0.68 RAD51 (0.54) RAD51CYP11B1CYP11B2SCN9ATRPV4
SCHEMBL18665819 0.67 RAD51 (0.40) RAD51CYP11B1CYP11B2TBXA2R
SCHEMBL15758160 0.66 XDH (0.44) RAD51ALBPIN1TRPV4
SCHEMBL10164103 0.65 RAD51 (0.45) RAD51TRPV4
SCHEMBL125367 0.65 RAD51 (0.45) RAD51ELANETBXA2RTRPV4L3MBTL1

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 RAD51 3032/4885DYRK1A 1853/4885PDE4B 879/4885
US-20120004203-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD KEAP1, NOX4, NOX5 RAD51 3032/4885DYRK1A 1853/4885PDE4B 879/4885

“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.

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