SCHEMBL6322293

SCHEMBL6322293

Fc1cccc(C#Cc2ccc3nsnc3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.48
CA12 O43570 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
CA1 P00915 2/20 0.46
PTPN11 Q06124 2/20 0.43
PTPN1 P18031 1/20 0.43
SLC6A2 P23975 1/20 0.41

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
SCHEMBL6313730 0.80 GRM5 (0.47) GRM5PTPN11PTPN1
SCHEMBL6315557 0.80 PTPN11 (0.43) GRM5PTPN11PTPN1
SCHEMBL9302636 0.78 CA12 (0.62) GRM5CA12CA2CA9CA1
SCHEMBL31286312 0.78 CA12 (0.62) GRM5CA12CA2CA9CA1
SCHEMBL9304700 0.74 CA12 (0.62) GRM5CA12CA2CA9CA1
SCHEMBL2728344 0.73 PTPN11 (0.54) PTPN11PTPN1
SCHEMBL6793023 0.72 GRM5 (0.56) GRM5
SCHEMBL717450 0.72 CA12 (0.59) GRM5CA12CA2CA9CA1
SCHEMBL6786957 0.70 PTPN11 (0.42) PTPN11PTPN1
SCHEMBL6322289 0.70 GRM5 (0.44) GRM5CA12CA2CA9CA1

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 1589/4885CA12 3702/4885CA2 767/4885

“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.