SCHEMBL6314495

SCHEMBL6314495

COc1ccc(C#Cc2cccc(F)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.53
CA12 O43570 3/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA9 Q16790 3/20 0.53
APP P05067 2/20 0.52
NFE2L2 Q16236 2/20 0.51
RELA Q04206 1/20 0.51
GRM5 P41594 5/20 0.47
HAO1 Q9UJM8 1/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
FFAR1 O14842 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43

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
SCHEMBL702612 0.83 CA12 (0.66) KCNH2CA12CA1CA2CA9
SCHEMBL6313746 0.81 CA12 (0.47) CA12CA1CA2CA9NFE2L2
SCHEMBL9304700 0.81 CA12 (0.62) CA12CA1CA2CA9GRM5
SCHEMBL27803325 0.81 APP (0.63) KCNH2CA12CA1CA2CA9
SCHEMBL31286312 0.80 CA12 (0.62) CA12CA1CA2CA9NFE2L2
SCHEMBL9302636 0.80 CA12 (0.62) CA12CA1CA2CA9NFE2L2
SCHEMBL10091168 0.79 CA12 (0.57) KCNH2CA12CA1CA2CA9
SCHEMBL4524506 0.79 APP (0.67) KCNH2CA12CA1CA2CA9
SCHEMBL17469614 0.79 APP (0.67) KCNH2CA12CA1CA2CA9
SCHEMBL703640 0.79 KCNH2 (0.53) KCNH2CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1608065-A Phenyl substituted triazoles and their use as selective inhibors of akl5 kinase and pharmaceutical compositions containing the compounds SMITHKLINE BEECHAM CORP (US) 2005-04-20 CN disclosed
US-20050014938-A1 Phenyl substituted triazoles and their use as selective inhibitors of akl5 kinase GASTER LARAMIE MARY (GB) 2005-01-20 US disclosed
EP-1444232-A1 PHENYL SUBSTITUTED TRIAZOLES AND THEIR USE AS SELECTIVE INHIBORS OF AKL5 KINASE SMITHKLINE BEECHAM CORPORATION (US) 2004-08-11 EP disclosed
WO-2003042211-A1 PHENYL SUBSTITUTED TRIAZOLES AND THEIR USE AS SELECTIVE INHIBORS OF AKL5 KINASE SMITHKLINE BEECHAM CORPORATION (US) 2003-05-22 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-20050014938-A1 Phenyl substituted triazoles and their use as selective inhibitors of akl5 kinase AKR1C3, CBR3, PHKG1 KCNH2 64/4885CA12 3702/4885CA1 2404/4885

“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.