SCHEMBL1497342

SCHEMBL1497342

CC(C)=CC(=O)c1ccc(CCNC(=O)c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.50
PIK3R1 P27986 8/20 0.50
MTOR P42345 7/20 0.50
PIK3CG P48736 4/20 0.50
PIK3R5 Q8WYR1 3/20 0.50
PIK3CD O00329 2/20 0.50
PIK3CB P42338 2/20 0.50
PIK3C2B O00750 1/20 0.50
AKR1C3 P42330 1/20 0.50
PRKDC P78527 1/20 0.50
PIK3C3 Q8NEB9 1/20 0.50
PI4KB Q9UBF8 1/20 0.50

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
SCHEMBL12264884 0.90 KLKB1 (0.41) PIK3CAPIK3R1MTORPIK3CGPIK3R5
SCHEMBL1497386 0.86 PIK3CA (0.42) PIK3CAPIK3R1MTOR
SCHEMBL2397822 0.85 PIK3CA (0.49) PIK3CAPIK3R1MTORPIK3CGPIK3R5
SCHEMBL1497344 0.84 PIK3CA (0.54) PIK3CAMTOR
SCHEMBL12264891 0.78 PIK3CA (0.56) PIK3CAPIK3R1PIK3CD
SCHEMBL12312702 0.77 MTOR (0.55) PIK3CAPIK3R1MTORPIK3CGPIK3R5
SCHEMBL12264887 0.75 JAK3 (0.42) PIK3CAPIK3R1MTOR
SCHEMBL1497331 0.72 JAK3 (0.41) PIK3CAPIK3R1MTOR
SCHEMBL2397384 0.71 MTOR (0.51) PIK3CAPIK3R1MTORPIK3CGPIK3R5
SCHEMBL1310732 0.70 MTOR (0.76) PIK3CAPIK3R1MTORPIK3CGPIK3R5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2475375-A2 PI3 KINASE INHIBITORS AND USES THEREOF Avila Therapeutics, Inc. (US) 2012-07-18 EP disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 US disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 US disclosed
WO-2011031896-A2 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-03-17 WO disclosed
WO-2011031896-A2 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-03-17 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-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF PIK3CA, PIK3CB, PIK3C2B PIK3CA 1/4885PIK3R1 20/4885MTOR 37/4885

“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.