SCHEMBL380520

SCHEMBL380520

CS(=O)(=O)Nc1cc(-c2cnc3cc(-c4cccnc4)ccn23)cnc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 1.00
MTOR P42345 8/20 1.00
KDR P35968 3/20 0.55
PIK3CD O00329 3/20 0.52
PIK3CB P42338 3/20 0.52
PIK3CG P48736 3/20 0.52
FLT3 P36888 2/20 0.52
GABRG2 P18507 1/20 0.51
GABRB3 P28472 1/20 0.51
GABRA3 P34903 1/20 0.51
FYN P06241 1/20 0.46
FGFR3 P22607 1/20 0.45
NEK2 P51955 1/20 0.44

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
SCHEMBL406624 0.90 PIK3CA (1.00) PIK3CAMTORKDRFLT3GABRG2
SCHEMBL7900395 0.83 PIK3CA (0.72) PIK3CAMTORKDRFLT3GABRG2
SCHEMBL379791 0.81 PIK3CA (0.68) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL767003 0.81 PIK3CA (0.66) PIK3CAMTORKDRPIK3CDPIK3CB
SCHEMBL406625 0.80 PIK3CA (0.75) PIK3CAMTORKDRFLT3GABRG2
SCHEMBL407547 0.78 PIK3CA (1.00) PIK3CAMTORKDRPIK3CDPIK3CB
SCHEMBL380323 0.72 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL5251547 0.72 KDR (1.00) PIK3CAMTORKDRFLT3GABRG2
SCHEMBL16588365 0.72 GABRG2 (0.83) PIK3CAMTORKDRFLT3GABRG2
SCHEMBL1543439 0.71 PIK3CA (0.74) PIK3CAMTORPIK3CDPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729074-B2 Inhibitors of PI3 kinase AMGEN INC. (US) 2014-05-20 US claimed
US-20120071474-A1 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2012-03-22 US claimed
EP-2408773-A2 INHIBITORS OF PI3 KINASE Amgen, Inc (US) 2012-01-25 EP claimed
WO-2010108074-A2 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2010-09-23 WO claimed
US-8729074-B2 Inhibitors of PI3 kinase AMGEN INC. (US) 2014-05-20 US disclosed
US-8729074-B2 Inhibitors of PI3 kinase AMGEN INC. (US) 2014-05-20 US disclosed
US-8729074-B2 Inhibitors of PI3 kinase AMGEN INC. (US) 2014-05-20 US disclosed
US-20120071474-A1 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2012-03-22 US disclosed
US-20120071474-A1 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2012-03-22 US disclosed
US-20120071474-A1 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2012-03-22 US disclosed
EP-2408773-A2 INHIBITORS OF PI3 KINASE Amgen, Inc (US) 2012-01-25 EP disclosed
WO-2010108074-A2 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2010-09-23 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-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.