SCHEMBL4841843

SCHEMBL4841843

O=C(OC(COc1ccc(-c2nc3cc(Br)cnc3[nH]2)cc1)CN1CCN(OC(=O)C(F)(F)F)CC1)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 4/20 0.32
HDAC6 Q9UBN7 4/20 0.31
HDAC3 O15379 3/20 0.31
HDAC1 Q13547 3/20 0.31
HDAC2 Q92769 3/20 0.31
HDAC8 Q9BY41 3/20 0.31
HDAC4 P56524 2/20 0.31
HDAC7 Q8WUI4 2/20 0.31
HDAC10 Q969S8 2/20 0.31
HDAC11 Q96DB2 2/20 0.31
HDAC9 Q9UKV0 2/20 0.31
HDAC5 Q9UQL6 2/20 0.31
TRPV1 Q8NER1 1/20 0.31
HRH3 Q9Y5N1 2/20 0.31
TBK1 Q9UHD2 1/20 0.30

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
SCHEMBL4844169 0.89 CHEK2 (0.37) CHEK2TBK1
SCHEMBL4839425 0.88 CHEK2 (0.35) CHEK2HDAC6
SCHEMBL4842378 0.87 CHEK2 (0.38) CHEK2
SCHEMBL4845506 0.84 KCNH2 (0.32) CHEK2HDAC6HDAC3HDAC1HDAC2
SCHEMBL4841801 0.84 CHEK2 (0.36) CHEK2HDAC6
SCHEMBL4834997 0.84 HDAC6 (0.36) CHEK2HDAC6HDAC3HDAC1HDAC2
SCHEMBL4844120 0.80 CHEK2 (0.36) CHEK2HRH3TBK1
SCHEMBL4838292 0.80 HDAC3 (0.34) CHEK2HDAC6HDAC3HDAC1HDAC2
SCHEMBL5260640 0.79 CHEK2 (0.34) CHEK2HDAC6HDAC3HDAC1HDAC2
Trifluoroacetic Acid SCHEMBL4841832 0.79 NPSR1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CHEK2 309/4885HDAC6 981/4885HDAC3 919/4885

“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.