SCHEMBL1497852

SCHEMBL1497852

C=CC(=O)Nc1ccc(CC(=O)N2CCC(n3ncc4c(N5CCOCC5)nc(-c5cnc(N)nc5)nc43)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.59
PIK3CA P42336 19/20 0.57
PIK3CG P48736 4/20 0.55
RICTOR Q6R327 1/20 0.55
RPTOR Q8N122 1/20 0.55
MAPKAP1 Q9BPZ7 1/20 0.55
MLST8 Q9BVC4 1/20 0.55
ATR Q13535 2/20 0.54
MAPK14 Q16539 1/20 0.54
CSNK1G1 Q9HCP0 1/20 0.54

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
SCHEMBL12264107 0.94 MTOR (0.59) MTORPIK3CAPIK3CGRICTORRPTOR
SCHEMBL1497727 0.90 MTOR (0.59) MTORPIK3CAPIK3CGRICTORRPTOR
SCHEMBL1497733 0.88 MTOR (0.73) MTORPIK3CAPIK3CGATR
SCHEMBL12832137 0.82 PIK3CA (0.73) MTORPIK3CA
SCHEMBL4996123 0.80 MTOR (0.67) MTORPIK3CAPIK3CGRICTORRPTOR
SCHEMBL1497582 0.78 PIK3CA (0.83) MTORPIK3CAPIK3CGATR
SCHEMBL1497478 0.78 PIK3CA (0.77) MTORPIK3CAPIK3CGRICTORRPTOR
SCHEMBL12264856 0.78 PIK3CA (0.75) MTORPIK3CA
SCHEMBL12264851 0.78 PIK3CA (0.76) MTORPIK3CAPIK3CG
SCHEMBL4992836 0.77 MTOR (0.68) MTORPIK3CAPIK3CGRICTORRPTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102625708-A Pi3 kinase inhibitors and uses thereof AVILA THERAPEUTICS INC 2012-08-01 CN disclosed
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
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

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 MTOR 37/4885PIK3CA 1/4885PIK3CG 6/4885

“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.