SCHEMBL1543749

SCHEMBL1543749

O=S(=O)(Nc1cc(-c2ccc3ncc(N4CCCCC4)nc3c2)cnc1Cl)c1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 1.00
PIK3CB P42338 6/20 0.84
MTOR P42345 6/20 0.84
PIK3CG P48736 6/20 0.84
PIK3CD O00329 4/20 0.84
PRKDC P78527 1/20 0.84
PIK3C3 Q8NEB9 1/20 0.84

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
SCHEMBL1543560 0.91 PIK3CA (1.00) PIK3CAPIK3CBMTORPIK3CGPIK3CD
SCHEMBL1543534 0.91 MTOR (1.00) PIK3CAPIK3CBMTORPIK3CGPIK3CD
SCHEMBL1543532 0.91 PIK3CA (1.00) PIK3CAPIK3CBMTORPIK3CGPIK3CD
SCHEMBL1543320 0.89 PIK3CA (1.00) PIK3CAPIK3CBMTORPIK3CGPIK3CD
SCHEMBL1543789 0.88 MTOR (1.00) PIK3CAPIK3CBMTORPIK3CGPIK3CD
SCHEMBL1543462 0.88 PIK3CA (1.00) PIK3CAPIK3CBMTORPIK3CGPIK3CD
SCHEMBL7981312 0.88 PIK3CA (1.00) PIK3CAPIK3CBMTORPIK3CGPIK3CD
SCHEMBL1542205 0.88 PIK3CA (1.00) PIK3CAPIK3CBMTORPIK3CGPIK3CD
SCHEMBL22028121 0.87 PIK3CB (0.85) PIK3CAPIK3CBMTORPIK3CGPIK3CD
SCHEMBL7996812 0.86 PIK3CA (0.83) PIK3CAPIK3CBMTORPIK3CGPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092504-A1 INHIBITORS OF PI3 KINASE AMGEN INC. 2011-04-21 US claimed
EP-2307400-A2 INHIBITORS OF PI3 KINASE Amgen, Inc (US) 2011-04-13 EP claimed
WO-2009155121-A2 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2009-12-23 WO claimed
EP-2307400-B1 INHIBITORS OF PI3 KINASE AMGEN INC (US) 2014-04-23 EP disclosed
US-8415376-B2 Inhibitors of PI3 kinase AMGEN INC. (US) 2013-04-09 US disclosed
US-8415376-B2 Inhibitors of PI3 kinase AMGEN INC. (US) 2013-04-09 US disclosed
US-8415376-B2 Inhibitors of PI3 kinase AMGEN INC. (US) 2013-04-09 US disclosed
US-20110092504-A1 INHIBITORS OF PI3 KINASE AMGEN INC. 2011-04-21 US disclosed
US-20110092504-A1 INHIBITORS OF PI3 KINASE AMGEN INC. 2011-04-21 US disclosed
US-20110092504-A1 INHIBITORS OF PI3 KINASE AMGEN INC. 2011-04-21 US disclosed
EP-2307400-A2 INHIBITORS OF PI3 KINASE Amgen, Inc (US) 2011-04-13 EP disclosed
WO-2009155121-A2 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2009-12-23 WO disclosed
WO-2009155121-A2 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2009-12-23 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-20110092504-A1 INHIBITORS OF PI3 KINASE PIK3CA, PIK3R1, PIK3R5 PIK3CA 1/4885PIK3CB 11/4885MTOR 34/4885

“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.