SCHEMBL4834739

SCHEMBL4834739

COc1c(Cl)cnc2[nH]c(-c3ccc(OCCO)cc3)nc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 8/20 0.49
DHODH Q02127 1/20 0.45
AURKA O14965 1/20 0.41
JAK2 O60674 5/20 0.40
JAK3 P52333 3/20 0.40
CHEK2 O96017 2/20 0.40
IKBKE Q14164 1/20 0.39
TBK1 Q9UHD2 1/20 0.39
PARP1 P09874 1/20 0.39
SYK P43405 1/20 0.38
ACHE P22303 2/20 0.38
ADORA2A P29274 1/20 0.37
BRAF P15056 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
SCHEMBL4844297 0.91 JAK1 (0.44) JAK1DHODHJAK2JAK3IKBKE
SCHEMBL4840913 0.83 ACHE (0.55) DHODHCHEK2IKBKETBK1PARP1
SCHEMBL4838086 0.81 TBK1 (0.63) JAK1DHODHIKBKETBK1ACHE
SCHEMBL4839593 0.81 MEN1 (0.48) JAK1JAK2JAK3IKBKETBK1
SCHEMBL6219742 0.80 CHEK2 (0.49) JAK1JAK2JAK3CHEK2SYK
SCHEMBL4843765 0.76 TNKS (0.50) PARP1
SCHEMBL23140719 0.71 HDAC3 (0.44) JAK1ADORA2A
SCHEMBL4843809 0.69 CHEK2 (0.50) DHODHCHEK2
SCHEMBL28598657 0.69 CASP2 (0.44) ADORA2A
SCHEMBL4841957 0.68 TBK1 (0.64) DHODHIKBKETBK1ACHEADORA2A

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 JAK1 291/4885DHODH 3294/4885AURKA 512/4885

“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.