SCHEMBL6169733

SCHEMBL6169733

CC(=O)N1CCOc2ccc(-c3nn[nH]c3-c3cccc(C)n3)cc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.48
PDE3A Q14432 2/20 0.48
PTGER3 P43115 1/20 0.44
NOTUM Q6P988 1/20 0.43
TGFBR1 P36897 5/20 0.42
MAPK14 Q16539 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
RIPK2 O43353 1/20 0.39
ACVR1B P36896 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
IMPDH2 P12268 1/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 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
SCHEMBL6167362 0.91 TGFBR1 (0.39) PDE3BPDE3APTGER3TGFBR1MAPK14
SCHEMBL6169745 0.86 TGFBR1 (0.43) PTGER3NOTUMTGFBR1MAPK14TDP1
SCHEMBL6391672 0.86 DRD2 (0.38) PDE3BPDE3APTGER3TGFBR1MAPK14
SCHEMBL6168797 0.83 TGFBR1 (0.41) PTGER3TGFBR1MAPK14TDP1RIPK2
SCHEMBL6175922 0.78 TGFBR1 (0.39) PDE3BPDE3ATGFBR1MAPK14TDP1
SCHEMBL6169245 0.78 PDE3B (0.46) PDE3BPDE3APTGER3TGFBR1MAPK14
SCHEMBL411631 0.78 TGFBR1 (0.46) TGFBR1MAPK14TDP1RIPK2ACVR1B
SCHEMBL6169255 0.76 HTT (0.48) PDE3BPDE3ATGFBR1MAPK14TDP1
SCHEMBL6168320 0.75 TGFBR1 (0.44) PDE3BPDE3ATGFBR1MAPK14TDP1
SCHEMBL6168702 0.75 HTT (0.45) POLB

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 6 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
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 PDE3B 1687/4885PDE3A 1698/4885PTGER3 2172/4885

“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.