SCHEMBL4843544

SCHEMBL4843544

CC(C)C(COC(=O)C(F)(F)F)NCC(COc1ccc(-c2nc3cc(Br)cnc3[nH]2)cc1)OC(=O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 3/20 0.34
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
IKBKE Q14164 1/20 0.32
AURKB Q96GD4 1/20 0.32
TBK1 Q9UHD2 1/20 0.32
HDAC3 O15379 7/20 0.31
HDAC1 Q13547 7/20 0.31
HDAC2 Q92769 7/20 0.31
HDAC8 Q9BY41 7/20 0.31
HDAC6 Q9UBN7 7/20 0.31

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
SCHEMBL4838292 0.92 HDAC3 (0.34) CHEK2MAPTMMP2MMP9MMP8
SCHEMBL5260640 0.86 CHEK2 (0.34) CHEK2MAPTMMP2MMP9MMP8
SCHEMBL4834997 0.84 HDAC6 (0.36) CHEK2HDAC3HDAC1HDAC2HDAC8
SCHEMBL4840576 0.81 HDAC6 (0.35) CHEK2HDAC3HDAC1HDAC2HDAC8
Trifluoroacetic Acid SCHEMBL4843535 0.80 KDM4E (0.38) MAPTSMN1; SMN2
SCHEMBL4844169 0.79 CHEK2 (0.37) CHEK2IKBKETBK1
SCHEMBL4842378 0.78 CHEK2 (0.38) CHEK2
SCHEMBL4841843 0.77 CHEK2 (0.32) CHEK2TBK1HDAC3HDAC1HDAC2
SCHEMBL4844120 0.76 CHEK2 (0.36) CHEK2IKBKEAURKBTBK1
SCHEMBL4838084 0.76 MAPT (0.43) MAPT

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 309/4885MAPT 3669/4885NPC1 2655/4885

“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.