SCHEMBL6315936

SCHEMBL6315936

COc1ccc(-c2n[nH]nc2-c2cccc(F)c2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.47
NTRK1 P04629 1/20 0.46
ERBB2 P04626 1/20 0.44
IDO1 P14902 1/20 0.44
PDGFRB P09619 2/20 0.44
PDGFRA P16234 2/20 0.44
KIT P10721 2/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
AHR P35869 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP17A1 P05093 1/20 0.42
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL6314174 0.87 ALDH1A1 (0.47) PDE4BNTRK1IDO1PDGFRBPDGFRA
SCHEMBL6315146 0.86 PDE4B (0.46) PDE4BERBB2IDO1PDGFRBKIT
SCHEMBL6315143 0.82 PTGS1 (0.49) PDE4BIDO1ALDH1A1KDM4EHPGD
SCHEMBL6649825 0.80 PDE4B (0.43) PDE4BNTRK1PDGFRBPDGFRAKIT
SCHEMBL412530 0.80 ALDH1A1 (0.43) ERBB2PDGFRBPDGFRAALDH1A1KDM4E
SCHEMBL27614878 0.76 ALOX15 (0.65) ERBB2IDO1KDM4EHPGD
SCHEMBL18049440 0.76 STK10 (0.48) PDGFRBPDGFRAKITALDH1A1KDM4E
SCHEMBL6620807 0.74 ALDH1A1 (0.48) ERBB2PDGFRBPDGFRAALDH1A1KDM4E
SCHEMBL10436281 0.73 KIT (0.59) PDGFRBPDGFRAKITALDH1A1KDM4E
SCHEMBL6313738 0.72 MAPT (0.49) PDE4BIDO1PDGFRBKITALDH1A1

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 5 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 claimed
CN-1608065-A Phenyl substituted triazoles and their use as selective inhibors of akl5 kinase and pharmaceutical compositions containing the compounds SMITHKLINE BEECHAM CORP (US) 2005-04-20 CN disclosed
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 PDE4B 1020/4885NTRK1 368/4885ERBB2 310/4885

“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.