SCHEMBL7524726

SCHEMBL7524726

C#CCn1cc(F)c(=O)n(CC#C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 6/20 0.38
GLA P06280 1/20 0.38
BLM P54132 1/20 0.38
ADORA3 P0DMS8 4/20 0.37
MET P08581 1/20 0.36
GAA P10253 1/20 0.35
ADORA2A P29274 3/20 0.33
ADORA1 P30542 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL11502128 0.68 KMT2A (0.38) MEN1KMT2AL3MBTL1
SCHEMBL17791230 0.68 ADORA2B (0.45) ADORA2BGLABLMADORA3GAA
SCHEMBL1629499 0.66 ADORA2B (0.39) ADORA2BGLABLMADORA3ADORA2A
SCHEMBL11095849 0.66 NPSR1 (0.40) GLAMEN1KMT2A
SCHEMBL316930 0.64 ADORA2B (0.62) ADORA2BGLABLMADORA3ADORA2A
SCHEMBL11158053 0.62 PTGS2 (0.32)
SCHEMBL10656238 0.62 ALDH1A1 (0.52) ADORA2BADORA2AMEN1KMT2AL3MBTL1
SCHEMBL10923406 0.62 TP53 (0.50) MEN1KMT2A
SCHEMBL9292730 0.62 ALDH1A1 (0.42) ADORA2BGLABLMADORA3GAA
SCHEMBL19147853 0.61 ALDH1A1 (0.53) ADORA2BGAAADORA2AMEN1KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3010890-B1 BIOORTHOGONAL METHODS AND COMPOUNDS UNIV COURT UNIV OF EDINBURGH (GB) 2019-01-02 EP disclosed
US-20180362473-A1 BIOORTHOGONAL METHODS AND COMPOUNDS UNIV COURT UNIV OF EDINBURGH (GB) 2018-12-20 US disclosed
US-20160152573-A1 BIOORTHOGONAL METHODS AND COMPOUNDS THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2016-06-02 US disclosed
US-20160152573-A1 BIOORTHOGONAL METHODS AND COMPOUNDS THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2016-06-02 US disclosed
EP-3010890-A1 BIOORTHOGONAL METHODS AND COMPOUNDS The University Court of the University of Edinburgh (GB) 2016-04-27 EP disclosed
WO-2014202994-A1 BIOORTHOGONAL METHODS AND COMPOUNDS THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2014-12-24 WO disclosed
EP-1169309-A4 PROPYNYL URACILS LONZA AG (US) 2002-06-05 EP disclosed
US-6344460-B1 BACTERICIDES, FUNGICIDES, AND PRESERVATIVES LONZA INC. 2002-02-05 US disclosed
EP-1169309-A1 PROPYNYL URACILS LONZA INC. (US) 2002-01-09 EP disclosed
WO-2000061565-A1 PROPYNYL URACILS LONZA INC. (US) 2000-10-19 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-20180362473-A1 BIOORTHOGONAL METHODS AND COMPOUNDS DDT, DPYD, DNPEP ADORA2B 3282/4885GLA 985/4885BLM 2120/4885
US-20160152573-A1 BIOORTHOGONAL METHODS AND COMPOUNDS DDT, DPYD, DNPEP ADORA2B 3282/4885GLA 985/4885BLM 2120/4885

“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.