SCHEMBL230880

SCHEMBL230880

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.56
KMT2A Q03164 8/20 0.56
MAPT P10636 9/20 0.56
ALDH1A1 P00352 7/20 0.56
KDM4E B2RXH2 4/20 0.56
HSP90AA1 P07900 2/20 0.56
HPGD P15428 1/20 0.56
LMNA P02545 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
MAPK1 P28482 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
S1PR4 O95977 1/20 0.56
S1PR1 P21453 1/20 0.56
GLO1 Q04760 2/20 0.50
NR1H4 Q96RI1 1/20 0.50
PDCD1 Q15116 1/20 0.49
CD274 Q9NZQ7 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47

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
SCHEMBL230881 1.00 MEN1 (0.56) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL10589974 0.93 MEN1 (0.66) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL10590008 0.89 KMT2A (0.60) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL20786827 0.85 MAPT (0.51) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL20787944 0.85 MAPT (0.51) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL10848993 0.84 PDCD1 (0.71) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL10375509 0.84 PDCD1 (0.71) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL10890387 0.83 KMT2A (0.65) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL11547023 0.83 KMT2A (0.65) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL10890390 0.83 KMT2A (0.65) MEN1KMT2AMAPTALDH1A1KDM4E

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 8 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
EP-1554246-B1 DIHYDROPYRIDINONE DERIVATIVES AS HNE INHIBITORS BAYER HEALTHCARE AG (DE) 2007-08-22 EP disclosed
US-7230017-B2 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2007-06-12 US disclosed
US-7230017-B2 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2007-06-12 US disclosed
WO-2004020410-A2 DIHYDROPYRIDINONE DERIVATIVES AS HNE INHIBITORS BAYER HEALTHCARE AG (DE) 2004-03-11 WO 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 MEN1 4832/4885KMT2A 3374/4885MAPT 2705/4885
US-20120004203-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD KEAP1, NOX4, NOX5 MEN1 4832/4885KMT2A 3374/4885MAPT 2705/4885

“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.