SCHEMBL2742294

SCHEMBL2742294

[C-]#[N+]C1=C(C)Nc2nc(N3C(=O)c4ccccc4C3=O)nn2C1c1ccc(C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
ELANE P08246 1/20 0.39
PGR P06401 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
F2 P00734 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 2/20 0.36
AR P10275 1/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35
TP53 P04637 2/20 0.35
MDM2 Q00987 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
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
SCHEMBL230888 0.87 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1GAAPGRLMNA
SCHEMBL231063 0.82 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1GAALMNAMEN1
SCHEMBL2742298 0.79 ELANE (0.40) ALDH1A1ELANELMNAMEN1KMT2A
SCHEMBL2742313 0.77 ELANE (0.52) ALDH1A1ELANELMNAMEN1KMT2A
SCHEMBL2742311 0.77 ELANE (0.39) ALDH1A1ELANELMNAMEN1KMT2A
SCHEMBL2742307 0.75 KDM4E (0.55) ALDH1A1GAAELANELMNAMEN1
SCHEMBL2742322 0.74 ELANE (0.72) ELANECYP3A4CYP2C9
SCHEMBL2742321 0.74 ELANE (0.72) ELANECYP3A4CYP2C9
SCHEMBL231852 0.73 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1GAAELANECYP2C19
SCHEMBL230540 0.66 KDM4E (0.51) ALDH1A1LMNAMEN1KMT2AKDM4E

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 SMN1; SMN2 4294/4885ALDH1A1 197/4885GAA 1164/4885
US-20120004203-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD KEAP1, NOX4, NOX5 SMN1; SMN2 4294/4885ALDH1A1 197/4885GAA 1164/4885

“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.