SCHEMBL230720

SCHEMBL230720

CC(=O)/C(C#N)=C\c1ccc(C#N)cc1S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD51 Q06609 2/20 0.43
▸ PDCD1 Q15116 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ MIF P14174 1/20 0.35
▸ EGFR P00533 3/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ELANE P08246 1/20 0.34
▸ TBXA2R P21731 2/20 0.33
▸ LCK P06239 1/20 0.33
▸ PPME1 Q9Y570 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
SCHEMBL230721 1.00 RAD51 (0.43) RAD51PDCD1CD274KDM4EALDH1A1
SCHEMBL2742293 0.81 RAD51 (0.41) RAD51DYRK1AL3MBTL1ELANETBXA2R
SCHEMBL122510 0.79 RAD51 (0.53) RAD51ELANE
SCHEMBL30764008 0.77 CYP1A2 (0.56) KDM4EKMT2APKMCYP1A2CYP3A4
SCHEMBL7903277 0.71 KDM4E (0.62) KDM4EALDH1A1KMT2APKMATM
SCHEMBL230148 0.71 KDM4E (0.62) KDM4EALDH1A1KMT2APKMATM
SCHEMBL230147 0.71 KDM4E (0.62) KDM4EALDH1A1KMT2APKMATM
SCHEMBL121887 0.70 RAD51 (0.54) RAD51
SCHEMBL232368 0.70 RAD51 (0.54) RAD51
SCHEMBL18665819 0.69 RAD51 (0.40) RAD51KDM4EALDH1A1KMT2AMEN1

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 3032/4885PDCD1 461/4885CD274 1661/4885
US-20120004203-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD KEAP1, NOX4, NOX5 RAD51 3032/4885PDCD1 461/4885CD274 1661/4885

“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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