SCHEMBL6323134

SCHEMBL6323134

Brc1cccc(-c2n[nH]nc2-c2ccc3nsnc3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.42
METAP2 P50579 1/20 0.42
TDO2 P48775 2/20 0.40
DCUN1D1 Q96GG9 2/20 0.39
ALDH1A1 P00352 6/20 0.38
ALOX15 P16050 3/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 2/20 0.38
GAA P10253 1/20 0.38
ALOX12 P18054 1/20 0.38
MPI P34949 1/20 0.38
MYC P01106 1/20 0.36
WDR5 P61964 1/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 2/20 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
SCHEMBL6316044 0.82 TGFBR1 (0.43) IDO1TDO2ALOX15TGFBR1MAPK14
SCHEMBL27596103 0.77 ALOX15 (0.65) IDO1METAP2TDO2DCUN1D1ALDH1A1
SCHEMBL6792464 0.75 TGFBR1 (0.53) TGFBR1MAPK14
SCHEMBL19707 0.69 PTPN11 (0.54) ALDH1A1HPGDRAB9ANPC1MEN1
SCHEMBL3858998 0.69 PTPN11 (0.58) TDO2ALDH1A1HPGDGAARAB9A
SCHEMBL30342075 0.66 MAPT (0.44) IDO1METAP2DCUN1D1ALDH1A1ALOX15
SCHEMBL29004074 0.66 MAPT (0.44) IDO1METAP2DCUN1D1ALDH1A1ALOX15
SCHEMBL6315557 0.66 PTPN11 (0.43) ALDH1A1HPGDRAB9ANPC1MEN1
SCHEMBL17283552 0.64 ALOX15 (0.81) IDO1ALDH1A1ALOX15HPGDHSD17B10
SCHEMBL16675755 0.63 PRKCI (0.53) TDO2PTPN11TGFBR1MAP4K4

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 IDO1 3144/4885METAP2 4319/4885TDO2 1137/4885

“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.