SCHEMBL6842859

SCHEMBL6842859

CC(=O)Nc1cc(-c2nc(-c3ccsc3)c(-c3ncc[nH]3)s2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 6/20 0.44
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
MAPK14 Q16539 8/20 0.42
FLT4 P35916 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
CSNK2A1 P68400 1/20 0.42
DYRK1A Q13627 1/20 0.42
AURKB Q96GD4 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42
GSK3B P49841 3/20 0.39
CDC7 O00311 1/20 0.37
DBF4 Q9UBU7 1/20 0.37
TOP2A P11388 1/20 0.37
PIP5K1C O60331 1/20 0.37
PIK3CA P42336 1/20 0.37

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
SCHEMBL6842841 0.89 PIK3C3 (0.47) PIK3C3ADORA3ADORA2AMAPK14GSK3B
SCHEMBL952377 0.88 MAPK14 (0.48) PIK3C3ADORA3MAPK14FLT4MAPK8
SCHEMBL6842868 0.87 MAPK14 (0.47) PIK3C3ADORA3MAPK14GSK3B
SCHEMBL6842861 0.87 PIK3C3 (0.45) PIK3C3MAPK14GSK3B
SCHEMBL6845075 0.87 PIK3C3 (0.45) PIK3C3MAPK14GSK3BPIP5K1CPIK3CA
SCHEMBL6842856 0.86 KDM4E (0.45) PIK3C3ADORA3MAPK14GSK3B
SCHEMBL13256721 0.86 PIK3C3 (0.44) PIK3C3MAPK14GSK3BCDC7DBF4
SCHEMBL6842845 0.85 MAPK14 (0.43) PIK3C3MAPK14GSK3B
SCHEMBL6845043 0.85 MAPK14 (0.49) PIK3C3ADORA3MAPK14GSK3BPIK3CA
SCHEMBL6845136 0.85 MAPK14 (0.49) PIK3C3MAPK14PIP5K1CPIK3CA

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-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US 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-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 PIK3C3 15/4885ADORA3 2550/4885ADORA2A 2838/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 PIK3C3 61/4885ADORA3 1419/4885ADORA2A 1184/4885

“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.