SCHEMBL230147

SCHEMBL230147

CC(=O)/C(C#N)=C\c1ccc(C#N)cc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.62
ALDH1A1 P00352 4/20 0.62
KMT2A Q03164 2/20 0.62
PKM P14618 1/20 0.62
ATM Q13315 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.59
FBP1 P09467 3/20 0.54
CISD1 Q9NZ45 1/20 0.50
SLC16A3 O15427 1/20 0.50
CYP3A4 P08684 1/20 0.50
HPGD P15428 1/20 0.50
SLC16A1 P53985 1/20 0.50
GPR35 Q9HC97 1/20 0.50
EGFR P00533 1/20 0.50
MEN1 O00255 1/20 0.49

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
SCHEMBL230148 1.00 KDM4E (0.62) KDM4EALDH1A1KMT2APKMATM
SCHEMBL7903277 1.00 KDM4E (0.62) KDM4EALDH1A1KMT2APKMATM
SCHEMBL4680326 0.84 KDM4E (0.71) KDM4EALDH1A1KMT2APKMATM
SCHEMBL21430785 0.84 EGFR (0.54) KDM4EALDH1A1KMT2AL3MBTL1CISD1
SCHEMBL9364778 0.84 KDM4E (0.71) KDM4EALDH1A1KMT2APKMATM
SCHEMBL801207 0.84 ALDH1A1 (0.71) KDM4EALDH1A1KMT2APKMCISD1
SCHEMBL4680322 0.84 KDM4E (0.71) KDM4EALDH1A1KMT2APKMATM
SCHEMBL12940413 0.83 ALDH1A1 (0.59) KDM4EALDH1A1KMT2APKMATM
SCHEMBL12803433 0.83 ALDH1A1 (0.59) KDM4EALDH1A1KMT2APKMATM
SCHEMBL12803432 0.83 ALDH1A1 (0.59) KDM4EALDH1A1KMT2APKMATM

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 KDM4E 4248/4885ALDH1A1 197/4885KMT2A 3374/4885
US-20120004203-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD KEAP1, NOX4, NOX5 KDM4E 4248/4885ALDH1A1 197/4885KMT2A 3374/4885

“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.