SCHEMBL6313730

SCHEMBL6313730

Clc1cccc(C#Cc2ccc3nsnc3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.47
KCNH2 Q12809 1/20 0.46
PTPN11 Q06124 2/20 0.43
PTPN1 P18031 1/20 0.43
CHRM2 P08172 2/20 0.37
CHRM1 P11229 2/20 0.37
HAO1 Q9UJM8 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2C9 P11712 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL6322293 0.80 GRM5 (0.48) GRM5PTPN11PTPN1
SCHEMBL6315557 0.80 PTPN11 (0.43) GRM5PTPN11PTPN1KDM4EMEN1
SCHEMBL4562631 0.78 KCNH2 (0.67) GRM5KCNH2HAO1CYP2C9PTGDR2
SCHEMBL30707869 0.78 KCNH2 (0.67) GRM5KCNH2HAO1CYP2C9PTGDR2
Charcoal, Activated SCHEMBL31286308 0.75 KCNH2 (0.64) GRM5KCNH2HAO1CYP2C9PTGDR2
SCHEMBL30081497 0.74 KCNH2 (0.58) GRM5KCNH2HAO1CYP2C9PTGDR2
SCHEMBL28630419 0.74 KCNH2 (0.58) GRM5KCNH2HAO1CYP2C9PTGDR2
SCHEMBL2729225 0.73 PTPN11 (0.54) PTPN11PTPN1KDM4EMEN1NPC1
Ammonia Solution, Strong SCHEMBL5555414 0.72 KCNH2 (0.56) GRM5KCNH2HAO1CYP2C9PTGDR2
SCHEMBL6793023 0.72 GRM5 (0.56) GRM5KDM4EMEN1NPC1RAB9A

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 64/4885PTPN11 604/4885

“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.