SCHEMBL6313726

SCHEMBL6313726

Clc1cccc(C#Cc2cccc(-c3cnsn3)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.43
KCNH2 Q12809 1/20 0.42
IDO1 P14902 2/20 0.39
ASIC3 Q9UHC3 1/20 0.38
HAO1 Q9UJM8 1/20 0.35
PTPRC P08575 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
PTPN9 P43378 1/20 0.35
DUSP3 P51452 1/20 0.35
PTPN11 Q06124 1/20 0.35
PTPN22 Q9Y2R2 1/20 0.35

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
SCHEMBL6322289 0.84 GRM5 (0.44) GRM5IDO1ASIC3
SCHEMBL6315551 0.82 GRM5 (0.42) GRM5IDO1ASIC3
SCHEMBL6786954 0.79 ALK (0.36) GRM5IDO1ASIC3
SCHEMBL6787055 0.78 IDO1 (0.36) GRM5IDO1ASIC3PTPN1
SCHEMBL6793018 0.77 GRM5 (0.53) GRM5
SCHEMBL6624622 0.75 GRM5 (0.55) GRM5ASIC3
SCHEMBL4562631 0.73 KCNH2 (0.67) GRM5KCNH2HAO1
SCHEMBL30707869 0.73 KCNH2 (0.67) GRM5KCNH2HAO1
Charcoal, Activated SCHEMBL31286308 0.71 KCNH2 (0.64) GRM5KCNH2HAO1
SCHEMBL2728342 0.71 IDO1 (0.51) IDO1

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 64/4885IDO1 3144/4885

“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.