SCHEMBL6167811

SCHEMBL6167811

O=C1COc2ccc(-c3nn[nH]c3-c3ccccn3)cc2N1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
RXFP1 Q9HBX9 1/20 0.49
MAPT P10636 9/20 0.47
THRB P10828 1/20 0.47
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 3/20 0.45
NR3C2 P08235 5/20 0.44
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
AR P10275 1/20 0.43
RAB9A P51151 1/20 0.43
AKT1 P31749 1/20 0.43
AKT2 P31751 1/20 0.43
AKT3 Q9Y243 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 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
SCHEMBL12405077 0.84 MAPT (0.58) KMT2ARXFP1MAPTTHRBALDH1A1
SCHEMBL6168732 0.83 KMT2A (0.51) KMT2ARXFP1MAPTTHRBALDH1A1
SCHEMBL6168835 0.79 MAPT (0.53) KMT2ARXFP1MAPTTHRBALDH1A1
SCHEMBL5139733 0.77 KMT2A (0.53) KMT2ARXFP1MAPTTHRBALDH1A1
SCHEMBL4264659 0.74 ALDH1A1 (0.65) KMT2ARXFP1MAPTTHRBALDH1A1
SCHEMBL6621746 0.74 POLB (0.52) KMT2AMAPTALDH1A1HPGDKDM4E
SCHEMBL15964930 0.72 MAPT (0.44) KMT2ARXFP1MAPTTHRBALDH1A1
SCHEMBL4294282 0.72 RXFP1 (0.59) KMT2ARXFP1MAPTTHRBALDH1A1
SCHEMBL30648411 0.71 MAPT (0.57) KMT2ARXFP1MAPTALDH1A1HPGD
SCHEMBL304764 0.71 MAPT (0.62) KMT2ARXFP1MAPTALDH1A1HPGD

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 7 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
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
US-6867320-B2 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-15 US disclosed
EP-1506191-A1 BENZOXAZINE AND BENZOXAZINONE SUBSTITUTED TRIAZOLES SMITHKLINE BEECHAM CORPORATION (US) 2005-02-16 EP 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 (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-20050165011-A1 Benzoxazine and benzoxazinone substituted triazoles ACVR1, TGFBR1, SMAD3 KMT2A 3214/4885RXFP1 77/4885MAPT 1751/4885

“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.