SCHEMBL6316044

SCHEMBL6316044

Fc1cccc(-c2n[nH]nc2-c2ccc3nsnc3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.43
MAPK14 Q16539 4/20 0.43
IDO1 P14902 2/20 0.42
TDO2 P48775 1/20 0.40
HTR7 P34969 1/20 0.38
ALOX15 P16050 1/20 0.38
ADORA2A P29274 1/20 0.38
MAP4K4 O95819 1/20 0.38
PIM1 P11309 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ESR2 Q92731 1/20 0.37
NOTUM Q6P988 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
SCHEMBL6323134 0.82 IDO1 (0.42) TGFBR1MAPK14IDO1TDO2ALOX15
SCHEMBL27614878 0.77 ALOX15 (0.65) MAPK14IDO1TDO2HTR7ALOX15
SCHEMBL6792464 0.75 TGFBR1 (0.53) TGFBR1MAPK14
SCHEMBL6315143 0.72 PTGS1 (0.49) MAPK14IDO1ALOX15
SCHEMBL6315936 0.70 PDE4B (0.47) IDO1
SCHEMBL18748044 0.69 KDM4E (0.45) MAPK14IDO1ADORA2ATAAR1ESR2
SCHEMBL12111502 0.69 TAAR1 (0.48) MAPK14ADORA2AMAP4K4TAAR1ESR2
SCHEMBL2728344 0.69 PTPN11 (0.54)
SCHEMBL3858998 0.69 PTPN11 (0.58) TDO2
SCHEMBL6314174 0.69 ALDH1A1 (0.47) IDO1ADORA2A

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 TGFBR1 2245/4885MAPK14 514/4885IDO1 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.