SCHEMBL4840752

SCHEMBL4840752

CCN1CCCC(NCCOc2ccc(-c3nc4cc(Br)cnc4[nH]3)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 9/20 0.44
ACHE P22303 6/20 0.41
IKBKE Q14164 4/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CDK2 P24941 1/20 0.37
AURKB Q96GD4 1/20 0.37
ROCK2 O75116 1/20 0.36

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 SCHEMBL4840418 0.93 TBK1 (0.39) TBK1ACHEIKBKEKDM4ECDK2
SCHEMBL4844677 0.86 KDM4E (0.47) TBK1IKBKECYP1A2CYP2D6CYP2C19
SCHEMBL4842267 0.86 CYP3A4 (0.43) TBK1CYP2D6
Trifluoroacetic Acid SCHEMBL4845728 0.82 LMNA (0.40) CYP2D6KDM4E
SCHEMBL4834728 0.80 CHEK2 (0.40) TBK1ACHECYP1A2CYP2D6CYP2C19
SCHEMBL5258478 0.80 KDM4E (0.47) KDM4E
SCHEMBL5260412 0.79 CHEK2 (0.41) TBK1KDM4E
Trifluoroacetic Acid SCHEMBL4844409 0.79 ALDH1A1 (0.46) TBK1CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL4845601 0.79 ACHE (0.48) TBK1ACHEIKBKEADORA3ADORA2A
SCHEMBL4844406 0.79 ACHE (0.61) TBK1ACHEIKBKEADORA3ADORA2A

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 7 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
EP-1539759-A1 USE OF AND SOME NOVEL IMIDAZOPYRIDINES AstraZeneca AB (SE) 2005-06-15 EP disclosed
WO-2004016611-A1 USE OF AND SOME NOVEL IMIDAZOPYRIDINES ASTRAZENECA AB (SE) 2004-02-26 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 (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 TBK1 1029/4885ACHE 1390/4885IKBKE 95/4885

“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.