SCHEMBL6168835

SCHEMBL6168835

O=C1COc2ccc(-c3nn[nH]c3-c3cccc(Cl)c3)cc2N1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.53
KMT2A Q03164 3/20 0.53
THRB P10828 1/20 0.49
RXFP1 Q9HBX9 1/20 0.47
POLB P06746 1/20 0.46
NR3C2 P08235 3/20 0.44
PGR P06401 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42

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
SCHEMBL6168732 0.79 KMT2A (0.51) MAPTKMT2ATHRBRXFP1POLB
SCHEMBL6167811 0.79 KMT2A (0.55) MAPTKMT2ATHRBRXFP1NR3C2
SCHEMBL5697173 0.79 MAPT (0.58) MAPTKMT2ATHRBRXFP1POLB
SCHEMBL6621746 0.74 POLB (0.52) MAPTKMT2APOLBNR3C2ALDH1A1
SCHEMBL4271505 0.74 MAPT (0.74) MAPTKMT2ATHRBRXFP1POLB
SCHEMBL5697055 0.72 MAPT (0.53) MAPTKMT2ATHRBRXFP1POLB
SCHEMBL28270660 0.72 IDO1 (0.58) MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL30015279 0.72 MMP12 (0.65) MAPTKMT2ATHRBPOLBNR3C2
SCHEMBL302933 0.72 MMP12 (0.65) MAPTKMT2ATHRBPOLBNR3C2
SCHEMBL304764 0.71 MAPT (0.62) MAPTKMT2ARXFP1NR3C2PGR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050165011-A1 Benzoxazine and benzoxazinone substituted triazoles GELLIBERT FRANCOISE J (FR) 2005-07-28 US claimed
EP-1506191-A1 BENZOXAZINE AND BENZOXAZINONE SUBSTITUTED TRIAZOLES SMITHKLINE BEECHAM CORPORATION (US) 2005-02-16 EP claimed
US-20050014938-A1 Phenyl substituted triazoles and their use as selective inhibitors of akl5 kinase GASTER LARAMIE MARY (GB) 2005-01-20 US claimed
WO-2003097639-A1 BENZOXAZINE AND BENZOXAZINONE SUBSTITUTED TRIAZOLES SMITHKLINE BEECHAM CORPORATION (US) 2003-11-27 WO claimed
US-20050165011-A1 Benzoxazine and benzoxazinone substituted triazoles GELLIBERT FRANCOISE J (FR) 2005-07-28 US disclosed
EP-1506191-A1 BENZOXAZINE AND BENZOXAZINONE SUBSTITUTED TRIAZOLES SMITHKLINE BEECHAM CORPORATION (US) 2005-02-16 EP 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
WO-2003097639-A1 BENZOXAZINE AND BENZOXAZINONE SUBSTITUTED TRIAZOLES SMITHKLINE BEECHAM CORPORATION (US) 2003-11-27 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 (2 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 MAPT 4591/4885KMT2A 2230/4885THRB 983/4885
US-20050165011-A1 Benzoxazine and benzoxazinone substituted triazoles ACVR1, TGFBR1, SMAD3 MAPT 1751/4885KMT2A 3214/4885THRB 216/4885

“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.