SCHEMBL6168320

SCHEMBL6168320

Cc1cccc(-c2[nH]nnc2-c2ccc3c(c2)NCCO3)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 13/20 0.44
MAPK14 Q16539 2/20 0.44
RIPK2 O43353 1/20 0.44
ACVR1B P36896 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
PFKFB3 Q16875 1/20 0.39
BRD4 O60885 1/20 0.39
PRKCI P41743 1/20 0.38
MTOR P42345 1/20 0.36
SYK P43405 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
SCHEMBL411631 0.84 TGFBR1 (0.46) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL6168732 0.81 KMT2A (0.51) ALDH1A1MAPT
SCHEMBL6169745 0.80 TGFBR1 (0.43) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL6168797 0.77 TGFBR1 (0.41) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL6169733 0.75 PDE3B (0.48) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL6167362 0.75 TGFBR1 (0.39) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL6760985 0.74 TGFBR1 (0.70) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL6169245 0.73 PDE3B (0.46) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL27756008 0.72 TGFBR1 (0.56) TGFBR1MAPK14ALDH1A1MTOR
SCHEMBL6169255 0.71 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 3 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 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.