SCHEMBL769676

SCHEMBL769676

O=S(=O)(c1ccc(F)cc1)N(c1cc(-c2cnc3ccccn23)cnc1Cl)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.66
MTOR P42345 8/20 0.66
FLT3 P36888 3/20 0.53
MIF P14174 1/20 0.40
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CDK2 P24941 1/20 0.39
IKBKE Q14164 1/20 0.39
TBK1 Q9UHD2 1/20 0.39
PIK3CD O00329 1/20 0.38

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
SCHEMBL769910 0.86 PIK3CA (0.67) PIK3CAMTORFLT3
SCHEMBL409076 0.80 PIK3CA (1.00) PIK3CAMTORPIK3CD
SCHEMBL13180735 0.72 FLT3 (1.00) PIK3CAMTORFLT3MIF
SCHEMBL770120 0.71 PSEN1 (0.39) PIK3CAMTORPIK3CD
SCHEMBL380298 0.71 PIK3CA (1.00) PIK3CAMTORFLT3CDK1CDK4
SCHEMBL30655418 0.68 FLT3 (0.69) PIK3CAMTORFLT3MIF
SCHEMBL29109646 0.68 FLT3 (0.69) PIK3CAMTORFLT3MIF
SCHEMBL15756734 0.66 FLT3 (0.61) PIK3CAMTORFLT3MIFCDK1
SCHEMBL380433 0.66 PIK3CA (1.00) PIK3CAMTORPIK3CD
SCHEMBL380333 0.65 PIK3CA (1.00) PIK3CAMTORPIK3CD

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 4 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 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

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 23/4885FLT3 595/4885

“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.