SCHEMBL767003

SCHEMBL767003

CC(C)(C)N1CC(Br)=CC(NC(=O)O)=C1Cl.CS(=O)(=O)Nc1cc(-c2cnc3cc(-c4cccnc4)ccn23)cnc1Cl

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.66
MTOR P42345 9/20 0.66
KDR P35968 4/20 0.39
FGFR3 P22607 2/20 0.39
FLT3 P36888 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA3 P34903 1/20 0.37
PIK3CD O00329 2/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CG P48736 2/20 0.36
HDAC8 Q9BY41 1/20 0.35
FYN P06241 1/20 0.34

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
SCHEMBL380520 0.81 PIK3CA (1.00) PIK3CAMTORKDRFGFR3FLT3
SCHEMBL406624 0.73 PIK3CA (1.00) PIK3CAMTORKDRFGFR3FLT3
SCHEMBL379791 0.70 PIK3CA (0.68) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL7900395 0.69 PIK3CA (0.72) PIK3CAMTORKDRFGFR3FLT3
SCHEMBL406625 0.69 PIK3CA (0.75) PIK3CAMTORKDRFGFR3FLT3
SCHEMBL407547 0.64 PIK3CA (1.00) PIK3CAMTORKDRFGFR3FLT3
SCHEMBL409921 0.61 PIK3CA (0.74) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL5251547 0.61 KDR (1.00) PIK3CAMTORKDRFGFR3FLT3
SCHEMBL3385682 0.60 FLT3 (0.54) PIK3CAMTORKDRFGFR3FLT3
SCHEMBL16588365 0.60 GABRG2 (0.83) PIK3CAMTORKDRFGFR3FLT3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071474-A1 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2012-03-22 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 (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-20120071474-A1 INHIBITORS OF PI3 KINASE PIK3CA, PIK3CD, PIK3CG PIK3CA 1/4885MTOR 23/4885KDR 975/4885

“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.