SCHEMBL6323121

SCHEMBL6323121

Cn1cnc2ccc(C#Cc3cccc(Cl)c3)cc21

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 14/20 0.57
KCNH2 Q12809 1/20 0.44
MAOB P27338 1/20 0.42
FGFR1 P11362 1/20 0.41
DYRK1A Q13627 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
SCHEMBL745777 0.78 DYRK1A (0.51) GRM5KCNH2FGFR1DYRK1A
SCHEMBL6791706 0.77 GRM5 (0.51) GRM5
SCHEMBL20641223 0.76 GRM5 (0.51) GRM5DYRK1A
SCHEMBL14421510 0.73 DYRK1A (0.47) GRM5KCNH2FGFR1DYRK1A
SCHEMBL29902888 0.73 DYRK1A (0.47) GRM5KCNH2FGFR1DYRK1A
SCHEMBL20641235 0.73 MAP3K14 (0.50) GRM5DYRK1A
SCHEMBL4562631 0.72 KCNH2 (0.67) GRM5KCNH2MAOB
SCHEMBL30707869 0.72 KCNH2 (0.67) GRM5KCNH2MAOB
SCHEMBL18041745 0.70 TGFBR1 (0.54) FGFR1DYRK1A
Charcoal, Activated SCHEMBL31286308 0.70 KCNH2 (0.64) GRM5KCNH2MAOB

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-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 GRM5 1589/4885KCNH2 64/4885MAOB 1211/4885

“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.