SCHEMBL6169745

SCHEMBL6169745

Cc1cccc(-c2[nH]nnc2-c2ccc3c(c2)N(C)CCO3)n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 14/20 0.43
MAPK14 Q16539 3/20 0.43
RIPK2 O43353 1/20 0.43
ACVR1B P36896 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PFKFB3 Q16875 1/20 0.39
PTGER3 P43115 2/20 0.38
NOTUM Q6P988 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
KDM5B Q9UGL1 1/20 0.35

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
SCHEMBL6168797 0.88 TGFBR1 (0.41) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL6169733 0.86 PDE3B (0.48) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL6167362 0.86 TGFBR1 (0.39) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL6169245 0.83 PDE3B (0.46) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL411631 0.83 TGFBR1 (0.46) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL6391672 0.82 DRD2 (0.38) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL6168320 0.80 TGFBR1 (0.44) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL6168702 0.80 HTT (0.45)
SCHEMBL6170719 0.79 HTT (0.58) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL6169255 0.79 HTT (0.48) TGFBR1MAPK14RIPK2ACVR1BTDP1

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 TGFBR1 2/4885MAPK14 105/4885RIPK2 75/4885

“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.