SCHEMBL4834208

SCHEMBL4834208

N#Cc1ccc(CNc2ccc(-c3nc4cc(Br)cnc4[nH]3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.43
GHSR Q92847 2/20 0.42
LRRK2 Q5S007 1/20 0.41
RHEB Q15382 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
HPGD P15428 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
TRIM33 Q9UPN9 2/20 0.39
TRIM24 O15164 1/20 0.39
CYP2D6 P10635 1/20 0.39
EGLN2 Q96KS0 2/20 0.38

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
SCHEMBL6222013 0.96 GHSR (0.44) HDAC6GHSRLRRK2RHEBCYP3A4
SCHEMBL4834289 0.89 LRRK2 (0.44) LRRK2CYP3A4KDM4EALDH1A1CYP1A2
SCHEMBL5259906 0.86 LMNA (0.43) GHSRCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL4834899 0.85 MMP2 (0.43) CYP3A4KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL4843978 0.83 NPC1 (0.53) GAAKDM4EALDH1A1MEN1MAPT
Trifluoroacetic Acid SCHEMBL5259008 0.81 VNN1 (0.42) HDAC6LRRK2CYP3A4CYP2C9CYP2C19
SCHEMBL5259598 0.80 FYN (0.38) KDM4EALDH1A1HPGDKMT2AHPSE
SCHEMBL5256155 0.80 NPC1 (0.42) KDM4EALDH1A1HPGDKMT2AHPSE
SCHEMBL5258985 0.79 MAOB (0.46) HDAC6KDM4EALDH1A1HPGDKMT2A
SCHEMBL5258008 0.78 HPSE (0.35) HDAC6KDM4EALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100358893-C Certain novel imidazopyridines and uses thereof ASTRAZENECA AB (SE) 2008-01-02 CN claimed
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
CN-1684964-A Use of and some novel imidazopyridines ASTRAZENECA AB (SE) 2005-10-19 CN claimed
US-7410966-B2 Use of and some novel imidazopyridines ASTRAZENECA AB (SE) 2008-08-12 US disclosed
CN-100358893-C Certain novel imidazopyridines and uses thereof ASTRAZENECA AB (SE) 2008-01-02 CN 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
CN-1684964-A Use of and some novel imidazopyridines ASTRAZENECA AB (SE) 2005-10-19 CN 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 HDAC6 981/4885GHSR 1987/4885LRRK2 693/4885

“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.