SCHEMBL6313746

SCHEMBL6313746

COc1ccc(C#Cc2cccc(F)c2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
CA1 P00915 2/20 0.47
GRM5 P41594 9/20 0.46
PTGS1 P23219 1/20 0.45
NFE2L2 Q16236 1/20 0.45
SLC6A2 P23975 1/20 0.42
HAO1 Q9UJM8 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
GRM4 Q14833 1/20 0.41
TUBB1 Q9H4B7 1/20 0.40

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
SCHEMBL6320583 0.83 NPC1 (0.49) CA12CA2CA9CA1GRM5
SCHEMBL14104821 0.82 GRM5 (0.46) GRM5PTGS1HAO1LMNAMAPK1
SCHEMBL6314495 0.81 KCNH2 (0.53) CA12CA2CA9CA1GRM5
SCHEMBL9302636 0.79 CA12 (0.62) CA12CA2CA9CA1GRM5
SCHEMBL31286312 0.79 CA12 (0.62) CA12CA2CA9CA1GRM5
SCHEMBL8863967 0.78 RAB9A (0.46) LMNAMAPK1HTTRAB9ATUBB1
SCHEMBL14486328 0.78 PDGFRB (0.47) GRM5
SCHEMBL19808999 0.77 LMNA (0.49) HAO1LMNAMAPK1HTTRAB9A
SCHEMBL990655 0.77 RAB9A (0.44) HAO1LMNAMAPK1HTTRAB9A
SCHEMBL6798381 0.75 GRM5 (0.63) GRM5LMNARAB9A

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 CA12 3702/4885CA2 767/4885CA9 709/4885

“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.