SCHEMBL4835015

SCHEMBL4835015

CN(CCC#N)CCOc1ccc(-c2nc3cc(Br)cnc3[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.44
HDAC6 Q9UBN7 1/20 0.40
ATP4A P20648 1/20 0.38
ATP4B P51164 1/20 0.38
CHEK2 O96017 1/20 0.38
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
P2RY12 Q9H244 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
AURKA O14965 1/20 0.36
BRAF P15056 3/20 0.35
MMP2 P08253 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL4834242 0.91 HDAC6 (0.40) ACHEHDAC6CHEK2PDE3BPDE3A
SCHEMBL4845795 0.87 ACHE (0.46) ACHEHDAC6ATP4AATP4BCHEK2
SCHEMBL4842226 0.85 KDM1A (0.40) ACHE
SCHEMBL5256922 0.83 ACHE (0.47) ACHEHDAC6ATP4AATP4B
SCHEMBL6246858 0.82 HRH3 (0.42) ACHE
SCHEMBL5259203 0.82 TSHR (0.49) ACHE
SCHEMBL4842140 0.82 CHEK2 (0.53) ACHEHDAC6ATP4AATP4BCHEK2
SCHEMBL2973958 0.81 ACHE (0.60) ACHEHDAC6ATP4AATP4BADORA3
SCHEMBL5261761 0.81 HDAC6 (0.49) ACHEHDAC6ATP4AATP4BCHEK2
SCHEMBL4837322 0.80 ACHE (0.40) ACHEHDAC6ATP4AATP4BCHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539759-B1 NOVEL IMIDAZOPYRIDINES AND THEIR USE ASTRAZENECA AB (SE) 2007-08-15 EP claimed
US-20050261333-A1 Use of and some novel imidazopyridines ASTRAZENECA A B (SE) 2005-11-24 US claimed
US-7410966-B2 Use of and some novel imidazopyridines ASTRAZENECA AB (SE) 2008-08-12 US disclosed
EP-1539759-B1 NOVEL IMIDAZOPYRIDINES AND THEIR USE ASTRAZENECA AB (SE) 2007-08-15 EP disclosed
US-20050261333-A1 Use of and some novel imidazopyridines ASTRAZENECA A B (SE) 2005-11-24 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 (1 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-20050261333-A1 Use of and some novel imidazopyridines ITK, CSNK1A1, RPS6KA1 ACHE 1390/4885HDAC6 981/4885ATP4A 885/4885

“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.